Glycoside
GD149527
Name:
2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O12Smiles:
COc1cc2c(cc1O)C(c1cc(OC)c(O)c(OC)c1)C(COC1OC(CO)C(O)C(O)C1O)C(CO)C2Aglycone:
COc1cc2c(cc1O)C(c1cc(OC)c(O)c(OC)c1)C(CO)C(CO)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD22071
Formula: C21H26O7
Smiles:
COc1cc2c(cc1O)C(c1cc(OC)c(O)c(OC)c1)C(CO)C(CO)C2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
