Glycoside
GD124866
Name:
3-(3-{2-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]hept-6-en-2-yl}-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,5aH,6H,7H,8H,9H,9aH,9bH-cyclopenta[a]naphthalen-6-yl)propanoic acidFormula:
C35H56O8Smiles:
C=C(C)C(CCC(C)(O)C1CCC2(C)C1C=CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12C)OC1OCC(O)C(O)C1OAglycone:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C=CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 604.83 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50475
Formula: C30H48O4
Smiles:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C=CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12C| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 6.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
