Glycoside
GD146947
Name:
6-[(8a-carboxy-4,6a,6b,11,11,12a,14b-heptamethyl-docosahydropicen-4-yl)oxy]-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acidFormula:
C41H66O13Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCCC(C)(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(O)C6O)C5CCC43C)C2(C)C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCCC(C)(O)C5CCC43C)C2(C)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD56373
Formula: C30H50O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCCC(C)(O)C5CCC43C)C2(C)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 7.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
