Glycoside
GD137082
Name:
5-hydroxy-2-(1-hydroxy-4-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}cyclohexa-2,5-dien-1-yl)-7-methoxy-4H-chromen-4-oneFormula:
C22H24O11Smiles:
COc1cc(O)c2c(=O)cc(C3(O)C=CC(OC4C(CO)OC(O)C(O)C4O)C=C3)oc2c1Aglycone:
COc1cc(O)c2c(=O)cc(C3(O)C=CC(O)C=C3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 179.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD44982
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(=O)cc(C3(O)C=CC(O)C=C3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
