Glycoside
GD121211
Name:
n-(2'-beta-d-glucopyranosyl-5'-hydroxysalicyl)-4-hydroxy-3-methoxyanthran+Formula:
C22H25O12NSmiles:
COC(=O)c1ccc(O)c(OC)c1N=C(O)c1cc(O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1ccc(O)c(OC)c1N=C(O)c1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 495.44 | Num_heavy_atoms: | 35 |
| TPSA: | 207.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD48764
Formula: C16H15O7N
Smiles:
COC(=O)c1ccc(O)c(OC)c1N=C(O)c1cc(O)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 333.3 | Num_heavy_atoms: | 24 |
| TPSA: | 128.81 | NumAromaticRings: | 2 |
