Glycoside
...
GD143682

Name:
1-[11-(acetyloxy)-1,3a-dihydroxy-7-[(5-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 2-aminobenzoate

Formula:
C64H101O25N

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CC(OC(C)=O)C3(C)C(O)(C(C)OC(=O)c5ccccc5N)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)c3ccccc3N)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 26 RingCount: 10
HBD: 9 FractionCSP3: 0.88
AlogP: 2.54 Num_rotatable_bonds: 19
MolWt: 1284.49 Num_heavy_atoms: 90
TPSA: 349.45 NumAromaticRings: 1

Unique Aglycone
AD47714
Formula: C30H43O7N

Smiles:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)c3ccccc3N)C12C
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.73
AlogP: 3.61 Num_rotatable_bonds: 4
MolWt: 529.67 Num_heavy_atoms: 38
TPSA: 139.31 NumAromaticRings: 1

Sugarmoiety
SD00904

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1