Glycoside
GD027930
Name:
1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-oneFormula:
C20H20O11Smiles:
COc1cc2oc3cc(O)c(O)cc3c(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(O)c2c(=O)c3cc(O)c(O)cc3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD18306
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3cc(O)c(O)cc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
