Glycoside
GD138137
Name:
5-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-6-yl 4-hydroxybenzoateFormula:
C22H26O12Smiles:
O=C(OC1=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC2C1O)c1ccc(O)cc1Aglycone:
O=C(OC1=C(CO)C2C(O)OC=CC2C1O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD55782
Formula: C16H16O7
Smiles:
O=C(OC1=C(CO)C2C(O)OC=CC2C1O)c1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
