Glycoside
GD151884
Name:
4,8-dimethyl-9-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl)-10-methylidene-2-oxatricyclo[6.3.1.0â´,¹²]dodecan-3-oneFormula:
C26H40O8Smiles:
C=C1CC2OC(=O)C3(C)CCCC(C)(C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O)C23Aglycone:
C=C1CC2OC(=O)C3(C)CCCC(C)(C1CCC(C)=CCO)C23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60528
Formula: C20H30O3
Smiles:
C=C1CC2OC(=O)C3(C)CCCC(C)(C1CCC(C)=CCO)C23| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
