Glycoside
...
GD039221

Name:
r3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-12,16-dihydroxy-14-hydroxymethyl-4,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid idopyranosyl ester

Formula:
C38H56O14

Smiles:
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@@]4(C)[C@H]([C@@H](C=O)CC(=O)C=C(C)C)[C@@H](O)C[C@@]4(CO)C3=CC[C@H]2[C@@]1(C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O

Aglycone:
CC(=O)OC1CCC2(C)C3CC(O)C4(C)C(C(C=O)CC(=O)C=C(C)C)C(O)CC4(CO)C3=CCC2C1(C)C(=O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 7 FractionCSP3: 0.79
AlogP: 0.5 Num_rotatable_bonds: 10
MolWt: 736.85 Num_heavy_atoms: 52
TPSA: 237.58 NumAromaticRings: 0

Unique Aglycone
AD24313
Formula: C32H46O9

Smiles:
CC(=O)OC1CCC2(C)C3CC(O)C4(C)C(C(C=O)CC(=O)C=C(C)C)C(O)CC4(CO)C3=CCC2C1(C)C(=O)O
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.75
AlogP: 3.24 Num_rotatable_bonds: 8
MolWt: 574.71 Num_heavy_atoms: 41
TPSA: 158.43 NumAromaticRings: 0

Sugarmoiety
SD00003

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