Glycoside
GD145046
Name:
3,4,5-trihydroxy-6-{[3,5,7-trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-8-yl]oxy}oxane-2-carboxylic acidFormula:
C21H18O15Smiles:
O=C(O)C1OC(Oc2c(O)cc(O)c3c(=O)c(O)c(-c4cc(O)c(O)c(O)c4)oc23)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.24 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.36 | Num_heavy_atoms: | 36 |
| TPSA: | 268.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD49631
Formula: C15H10O9
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)cc(O)c12| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.24 | Num_heavy_atoms: | 24 |
| TPSA: | 171.82 | NumAromaticRings: | 3 |
