Glycoside
...
GD148272

Name:
2-{[2-hydroxy-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C36H62O9

Smiles:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12

Aglycone:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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

Other Identifiers

Properties
HBA: 9 RingCount: 6
HBD: 7 FractionCSP3: 1.0
AlogP: 2.99 Num_rotatable_bonds: 5
MolWt: 638.88 Num_heavy_atoms: 45
TPSA: 160.07 NumAromaticRings: 0

Unique Aglycone
AD57540
Formula: C30H52O4

Smiles:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 5.16 Num_rotatable_bonds: 2
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00003

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