Glycoside
GD139685
Name:
5-ethenyl-7-hydroxy-1,5-dimethyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-octahydro-1H-inden-2-oneFormula:
C22H34O8Smiles:
C=CC1(C)CC(O)C2C(C)C(=O)CC2C1C(C)=COC1OC(CO)C(O)C(O)C1OAglycone:
C=CC1(C)CC(O)C2C(C)C(=O)CC2C1C(C)=COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.51 | Num_heavy_atoms: | 30 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD56328
Formula: C16H24O3
Smiles:
C=CC1(C)CC(O)C2C(C)C(=O)CC2C1C(C)=CO| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.36 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
