Glycoside
GD121757
Name:
5-hydroxy-1,2,3,7-tetramethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C23H26O13Smiles:
COc1cc2c(=O)c3c(OC)c(OC)c(OC)cc3oc2c(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2c(=O)c3c(OC)c(OC)c(OC)cc3oc2c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.45 | Num_heavy_atoms: | 36 |
| TPSA: | 186.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD49026
Formula: C17H16O8
Smiles:
COc1cc2c(=O)c3c(OC)c(OC)c(OC)cc3oc2c(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.31 | Num_heavy_atoms: | 25 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
