Glycoside
...
GD125680

Name:
[4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxidanesulfonic acid

Formula:
C36H56O13S

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C=O)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C=O)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 6 FractionCSP3: 0.89
AlogP: 2.47 Num_rotatable_bonds: 6
MolWt: 728.9 Num_heavy_atoms: 50
TPSA: 217.35 NumAromaticRings: 0

Unique Aglycone
AD50837
Formula: C30H46O8S

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C=O)C5CCC43C)C2C1
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.21 Num_rotatable_bonds: 4
MolWt: 566.76 Num_heavy_atoms: 39
TPSA: 138.2 NumAromaticRings: 0

Sugarmoiety
SD00003

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