Glycoside
...
GD136468

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-7,9-dihydroxy-3a,6,9a,11a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylate

Formula:
C36H58O11

Smiles:
CC(CC(=O)C1OC1(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C4(C)C3CCC12C

Aglycone:
CC(CC(=O)C1OC1(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C4(C)C3CCC12C

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 6 FractionCSP3: 0.94
AlogP: 2.1 Num_rotatable_bonds: 7
MolWt: 666.85 Num_heavy_atoms: 47
TPSA: 186.51 NumAromaticRings: 0

Unique Aglycone
AD55162
Formula: C30H48O6

Smiles:
CC(CC(=O)C1OC1(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C4(C)C3CCC12C
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 4.84 Num_rotatable_bonds: 5
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 107.36 NumAromaticRings: 0

Sugarmoiety
SD00003

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