Glycoside
GD124277
Name:
methyl 3-[3-(2-hydroxy-6-methylhept-5-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]propanoateFormula:
C36H60O8Smiles:
C=C(C)C1CCC2(C)C(CC(OC3OCC(O)C(O)C3O)C3C(C(C)(O)CCC=C(C)C)CCC32C)C1(C)CCC(=O)OCAglycone:
C=C(C)C1CCC2(C)C(CC(O)C3C(C(C)(O)CCC=C(C)C)CCC32C)C1(C)CCC(=O)OCSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 620.87 | Num_heavy_atoms: | 44 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50194
Formula: C31H52O4
Smiles:
C=C(C)C1CCC2(C)C(CC(O)C3C(C(C)(O)CCC=C(C)C)CCC32C)C1(C)CCC(=O)OC| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 6.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
