Glycoside
GD114563
Name:
6-acetyl-4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-methylnaphthalene-2-carboxylic acidFormula:
C26H32O15Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)c2c1OAglycone:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.53 | Num_heavy_atoms: | 41 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD45063
Formula: C14H12O5
Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
