Glycoside
GD141120
Name:
11-hydroxy-10-{[4-hydroxy-5-(hydroxymethyl)-2,3-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]cyclohexyl]oxy}-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C47H74O16Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6CC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1CAglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 895.09 | Num_heavy_atoms: | 63 |
| TPSA: | 265.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD54197
Formula: C37H58O8
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 630.86 | Num_heavy_atoms: | 45 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
