Glycoside

GD132142
Name:
2-{[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-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:
C36H60O8Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.94 |
AlogP: | 3.94 | Num_rotatable_bonds: | 4 |
MolWt: | 620.87 | Num_heavy_atoms: | 44 |
TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD07473
Formula: C30H50O3
Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 3 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.93 |
AlogP: | 6.11 | Num_rotatable_bonds: | 1 |
MolWt: | 458.73 | Num_heavy_atoms: | 33 |
TPSA: | 60.69 | NumAromaticRings: | 0 |