Glycoside
...
GD121782

Name:
6-[(6-{[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyloxy](hydroxy)methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-{[N'-(4-hydroxybutyl)carbamimidamido]methoxy}-2-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid

Formula:
C44H60O16N4

Smiles:
COc1cc(C(=O)OC(O)C2OC(Oc3c(OCNC(=N)NCCCCO)cc(C(=O)O)c4c3CCC(CC(C)C)C(C)N4)C(O)C(O)C2O)c(O)c(OCCc2ccccc2)c1O

Aglycone:
CC(C)CC1CCc2c(O)c(OCNC(=N)NCCCCO)cc(C(=O)O)c2NC1C.COc1cc(C(=O)OCO)c(O)c(OCCc2ccccc2)c1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 12 FractionCSP3: 0.52
AlogP: 2.42 Num_rotatable_bonds: 20
MolWt: 900.98 Num_heavy_atoms: 64
TPSA: 311.3 NumAromaticRings: 3

Unique Aglycone
AD46138
Formula: C17H18O7

Smiles:
COc1cc(C(=O)OCO)c(O)c(OCCc2ccccc2)c1O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.24
AlogP: 1.83 Num_rotatable_bonds: 7
MolWt: 334.32 Num_heavy_atoms: 24
TPSA: 105.45 NumAromaticRings: 2
AD49038
Formula: C22H36O5N4

Smiles:
CC(C)CC1CCc2c(O)c(OCNC(=N)NCCCCO)cc(C(=O)O)c2NC1C
HBA: 9 RingCount: 2
HBD: 7 FractionCSP3: 0.64
AlogP: 2.72 Num_rotatable_bonds: 10
MolWt: 436.55 Num_heavy_atoms: 31
TPSA: 146.93 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O