Glycoside
GD127422
Name:
2-[(4,5-dihydroxy-2-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H44O16Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)ccc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 684.69 | Num_heavy_atoms: | 48 |
| TPSA: | 257.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD05465
Formula: C20H24O6
Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
