Glycoside
GD149661
Name:
2-({5-[(4,4,6a,6b,8a,11,12,14b-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]-3,4-dihydroxyoxolan-2-yl}methoxy)-6-methyloxane-3,4,5-triolFormula:
C41H68O9Smiles:
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1CAglycone:
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 704.99 | Num_heavy_atoms: | 50 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD55138
Formula: C30H50O
Smiles:
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 426.73 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
