Glycoside
GD127010
Name:
3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-oneFormula:
C21H26O14Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2O)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12Aglycone:
O=c1c(O)coc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.43 | Num_heavy_atoms: | 35 |
| TPSA: | 228.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD51412
Formula: C9H6O4
Smiles:
O=c1c(O)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
