Glycoside
GD146838
Name:
6-({8-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C25H24O16Smiles:
O=C(O)C1OC(Oc2ccc3c(c2)oc(=O)c2cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc23)C(O)C(O)C1OAglycone:
O=c1oc2cc(O)ccc2c2ccc(O)cc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.4 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.45 | Num_heavy_atoms: | 41 |
| TPSA: | 263.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD53439
Formula: C13H8O4
Smiles:
O=c1oc2cc(O)ccc2c2ccc(O)cc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 228.2 | Num_heavy_atoms: | 17 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
