Glycoside
GD015989
Name:
10-hydroxy-8,8-dimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl}-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-oneFormula:
C21H26O9Smiles:
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1C(O)c2c(ccc3ccc(=O)oc23)OC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD11562
Formula: C15H16O4
Smiles:
CC1C(O)c2c(ccc3ccc(=O)oc23)OC1(C)C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
