Glycoside
GD144900
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}benzoateFormula:
C19H27O12NSmiles:
O=C(OC1OC(CO)C(O)C(O)C1O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
Nc1ccc(C(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.63 |
| AlogP: | -4.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.42 | Num_heavy_atoms: | 32 |
| TPSA: | 218.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD04803
Formula: C7H7O2N
Smiles:
Nc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
