Glycoside
GD151138
Name:
3-[3-(2-hydroxy-6-methoxy-6-methylhept-4-en-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acidFormula:
C36H60O9Smiles:
C=C(C)C1CCC2(C)C(CC(OC3OCC(O)C(O)C3O)C3C(C(C)(O)CC=CC(C)(C)OC)CCC32C)C1(C)CCC(=O)OAglycone:
C=C(C)C1CCC2(C)C(CC(O)C3C(C(C)(O)CC=CC(C)(C)OC)CCC32C)C1(C)CCC(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD58259
Formula: C31H52O5
Smiles:
C=C(C)C1CCC2(C)C(CC(O)C3C(C(C)(O)CC=CC(C)(C)OC)CCC32C)C1(C)CCC(=O)O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.75 | Num_heavy_atoms: | 36 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
