Glycoside
...
GD128841

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

Formula:
C37H60O12

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

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

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.92
AlogP: 2.06 Num_rotatable_bonds: 10
MolWt: 696.87 Num_heavy_atoms: 49
TPSA: 200.28 NumAromaticRings: 0

Unique Aglycone
AD48286
Formula: C31H50O7

Smiles:
CC(=O)OC(C)C(CCC(C)(O)C1C(=O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C)C(C)(C)O
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 4.23 Num_rotatable_bonds: 7
MolWt: 534.73 Num_heavy_atoms: 38
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00003

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