Glycoside
GD147090
Name:
6-({8a-[(acetyloxy)methyl]-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(4-methylpenta-1,3-dien-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C44H68O13Smiles:
C=C(C=C(C)C)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)CAglycone:
C=C(C=C(C)C)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 805.02 | Num_heavy_atoms: | 57 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD58917
Formula: C38H60O7
Smiles:
C=C(C=C(C)C)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 628.89 | Num_heavy_atoms: | 45 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
