Glycoside
GD139135
Name:
2-[(1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H30O13Smiles:
Cc1cc2cccc(OC3OC(CO)C(O)C(O)C3O)c2c(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1cc2cccc(O)c2c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.48 | Num_heavy_atoms: | 36 |
| TPSA: | 218.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD56108
Formula: C11H10O3
Smiles:
Cc1cc2cccc(O)c2c(O)c1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
