Glycoside
GD146799
Name:
4-(acetyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C43H68O13Smiles:
CC(=O)OC1C(O)C(CO)OC(OC(=O)C23CCC(C)C(C)C2C2=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C1OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 793.0 | Num_heavy_atoms: | 56 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD03055
Formula: C30H48O3
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
