Glycoside
...
GD120538

Name:
3-({3-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-5-({4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl}oxy)-17-{14-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy]-2,8,12-trihydroxy-7,9,13-trimethylpentadecyl}-1,7,9,13,23,25,27,33,34-nonahydroxy-4,14,18,24,30-pentamethyl-29-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,35-dioxabicyclo[29.3.1]pentatriaconta-11,19,21-trien-15-one

Formula:
C99H178O40N4

Smiles:
CC1C=CC=CC(O)C(C)C(O)CC(O)CC(OC2OC(CO)C(O)C(O)C2O)C(C)C2CC(O)C(O)C(O)(CC(OC3OC(C)C(OC4OC(C)C(O)C(OC5CC(N)C(O)C(C)O5)C4O)C(OC4CC(N)C(O)C(C)O4)C3OC3OC(C)C(N)C(O)C3O)C(C)CCC(O)CC(O)CC=CC(O)C(C)C(=O)OC1CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC1CC(C)(N)C(O)C(C)O1)O2

Aglycone:
CC1C=CC=CC(O)C(C)C(O)CC(O)CC(O)C(C)C2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)CC(O)CC=CC(O)C(C)C(=O)OC1CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC1CC(C)(N)C(O)C(C)O1)O2.CC1OC(O)CC(N)C1O.CC1OC(O)CC(N)C1O

Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1N.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 44 RingCount: 9
HBD: 31 FractionCSP3: 0.93
AlogP: -3.04 Num_rotatable_bonds: 29
MolWt: 2064.5 Num_heavy_atoms: 143
TPSA: 734.12 NumAromaticRings: 0

Unique Aglycone
AD01040
Formula: C6H13O3N

Smiles:
CC1OC(O)CC(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.2 Num_rotatable_bonds: 0
MolWt: 147.17 Num_heavy_atoms: 10
TPSA: 75.71 NumAromaticRings: 0
AD48439
Formula: C63H115O20N

Smiles:
CC1C=CC=CC(O)C(C)C(O)CC(O)CC(O)C(C)C2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)CC(O)CC=CC(O)C(C)C(=O)OC1CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC1CC(C)(N)C(O)C(C)O1)O2
HBA: 21 RingCount: 3
HBD: 17 FractionCSP3: 0.89
AlogP: 2.92 Num_rotatable_bonds: 16
MolWt: 1206.6 Num_heavy_atoms: 84
TPSA: 383.46 NumAromaticRings: 0

Sugarmoiety
SD05636

CC1OC(OC2C(O)OC(C)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1N.OCC1OC(O)C(O)C(O)C1O