Glycoside
GD141242
Name:
3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-oneFormula:
C21H20O12Smiles:
COc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C3O)c(-c3cc(O)c(O)c(O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.38 | Num_heavy_atoms: | 33 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD01308
Formula: C16H12O8
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
