Glycoside
GD117123
Name:
2-{[6-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O13Smiles:
COc1cc(C2c3c(cc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3OC)CC(O)(CO)C2CO)ccc1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(O)(CO)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD46647
Formula: C21H26O8
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(O)(CO)C2CO)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
