Glycoside
GD135528
Name:
1,4,5,7-Tetrahydroxyxanthone; 1,4,5-Tri-Me Ether, 7-O-[β-D-Glucopyranosyl-(1->2)-β-D-Galactopyranoside]Formula:
C28H34O16Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc2c(=O)c3c(OC)ccc(OC)c3oc12Aglycone:
COc1cc(O)cc2c(=O)c3c(OC)ccc(OC)c3oc12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 236.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD54798
Formula: C16H14O6
Smiles:
COc1cc(O)cc2c(=O)c3c(OC)ccc(OC)c3oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
