Glycoside
GD127106
Name:
2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C33H46O17Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 12 |
| MolWt: | 714.71 | Num_heavy_atoms: | 50 |
| TPSA: | 255.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD01165
Formula: C22H28O8
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(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 |
