Glycoside

GD118613
Name:
2-[(8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H60O7Smiles:
CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.94 |
AlogP: | 4.96 | Num_rotatable_bonds: | 3 |
MolWt: | 604.87 | Num_heavy_atoms: | 43 |
TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD09413
Formula: C30H50O2
Smiles:
CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 2 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.93 |
AlogP: | 7.14 | Num_rotatable_bonds: | 0 |
MolWt: | 442.73 | Num_heavy_atoms: | 32 |
TPSA: | 40.46 | NumAromaticRings: | 0 |