Glycoside
GD148663
Name:
5-hydroxy-2-(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamido)benzoic acidFormula:
C20H21O11NSmiles:
O=C(O)c1cc(O)ccc1N=C(O)c1cc(O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)c1cc(O)ccc1N=C(O)c1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.38 | Num_heavy_atoms: | 32 |
| TPSA: | 209.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD59481
Formula: C14H11O6N
Smiles:
O=C(O)c1cc(O)ccc1N=C(O)c1cc(O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.24 | Num_heavy_atoms: | 21 |
| TPSA: | 130.58 | NumAromaticRings: | 2 |
