Glycoside
GD134839
Name:
2-{[5-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H38O13Smiles:
COc1cc(C2c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)c(OC)c3CC(CO)C2CO)cc(OC)c1OAglycone:
COc1cc(C2c3cc(OC)c(O)c(OC)c3CC(CO)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.6 | Num_heavy_atoms: | 41 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD54543
Formula: C22H28O8
Smiles:
COc1cc(C2c3cc(OC)c(O)c(OC)c3CC(CO)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
