Glycoside
GD026730
Name:
(6-{[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoateFormula:
C38H48O11Smiles:
C=C(CCC=C(C)C)CCC=C(C)CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)O[C@H](c2ccc(OC)c(OC)c2)CC3=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=C(CCC=C(C)C)CCC=C(C)CC(=O)OC.COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 5.56 | Num_rotatable_bonds: | 15 |
| MolWt: | 680.79 | Num_heavy_atoms: | 49 |
| TPSA: | 150.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00222
Formula: C17H16O5
Smiles:
COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
AD17607
Formula: C16H26O2
Smiles:
C=C(CCC=C(C)C)CCC=C(C)CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 250.38 | Num_heavy_atoms: | 18 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
