Glycoside
GD142198
Name:
methyl 3-(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-(2-hydroxy-6-methyl-5-methylideneheptan-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoateFormula:
C37H62O8Smiles:
C=C(CCC(C)(O)C1CCC2(C)C1C(OC1OC(CO)C(O)C1O)CC1C(C)(CCC(=O)OC)C(C(=C)C)CCC12C)C(C)CAglycone:
C=C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C(C)(CCC(=O)OC)C(C(=C)C)CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 5.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 634.89 | Num_heavy_atoms: | 45 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD49419
Formula: C32H54O4
Smiles:
C=C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C(C)(CCC(=O)OC)C(C(=C)C)CCC12C)C(C)C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.78 | Num_heavy_atoms: | 36 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
