Glycoside
GD136697
Name:
2-{[8-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-3-methoxy-7-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C31H42O15Smiles:
COc1cc(C2c3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3CC(CO)C2COC2OCC(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)ccc1OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 654.66 | Num_heavy_atoms: | 46 |
| TPSA: | 237.45 | 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 |
