Glycoside
...
GD138819

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

Formula:
C41H66O14

Smiles:
CC(=O)OC(C)C(CCC(C)(O)C1C(OC(C)=O)CC2C3CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)(C)OC(C)=O

Aglycone:
CC(=O)OC(C)C(CCC(C)(O)C1C(OC(C)=O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C)C(C)(C)OC(C)=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 2.99 Num_rotatable_bonds: 12
MolWt: 782.96 Num_heavy_atoms: 55
TPSA: 215.58 NumAromaticRings: 0

Unique Aglycone
AD56005
Formula: C35H56O9

Smiles:
CC(=O)OC(C)C(CCC(C)(O)C1C(OC(C)=O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C)C(C)(C)OC(C)=O
HBA: 9 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: 5.17 Num_rotatable_bonds: 9
MolWt: 620.82 Num_heavy_atoms: 44
TPSA: 136.43 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O