Glycoside
GD157286
Name:
10-hydroxy-1,2,6b,9,9,12a-hexamethyl-4a-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]carbonyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acidFormula:
C36H56O9Smiles:
CC1CCC2(C(=O)OC3OC(C)C(O)C(O)C3O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CAglycone:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00107
Formula: C30H46O5
Smiles:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
