Glycoside
GD123275
Name:
1-hydroxy-3,6,7-trimethoxy-2,4-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-oneFormula:
C28H34O16Smiles:
COc1cc2oc3c(C4OC(CO)C(O)C(O)C4O)c(OC)c(C4OC(CO)C(O)C(O)C4O)c(O)c3c(=O)c2cc1OCAglycone:
COc1cc(O)c2c(=O)c3cc(OC)c(OC)cc3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD49727
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(=O)c3cc(OC)c(OC)cc3oc2c1| 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 |
