Glycoside
GD143057
Name:
2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3,6,8-trimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H38O13Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(OC)C2COC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(OC)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.6 | Num_heavy_atoms: | 41 |
| TPSA: | 185.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD57550
Formula: C22H28O8
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(OC)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
