Glycoside
GD140385
Name:
5-(4-{3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)cyclopentyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C27H36O11Smiles:
COc1cc(CC2(O)CCC(c3ccc(OC4C(CO)OC(O)C(O)C4O)c(OC)c3)C2CO)ccc1OAglycone:
COc1cc(CC2(O)CCC(c3ccc(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD56606
Formula: C21H26O6
Smiles:
COc1cc(CC2(O)CCC(c3ccc(O)c(OC)c3)C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
