Glycoside
GD117903
Name:
12-(acetyloxy)-10-hydroxy-2,4a,6a,6b,9,12a-hexamethyl-9-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acidFormula:
C38H60O10Smiles:
CC(=O)OC1CC(O)C(C)(COC2OC(C)C(O)C(O)C2O)C2CCC3(C)C(CC=C4C5CC(C)(C(=O)O)CCC5(C)CCC43C)C12CAglycone:
CC(=O)OC1CC(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(C(=O)O)CCC5(C)CCC43C)C12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 676.89 | Num_heavy_atoms: | 48 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD47076
Formula: C32H50O6
Smiles:
CC(=O)OC1CC(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(C(=O)O)CCC5(C)CCC43C)C12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
