Glycoside
GD121502
Name:
2-(hydroxymethyl)-6-{6,8,11,19-tetraoxapentacyclo[10.8.0.0²,¹â°.0âµ,â¹.0¹³,¹â¸]icosa-2(10),3,5(9),13,15,17-hexaen-16-yloxy}oxane-3,4,5-triolFormula:
C22H22O10Smiles:
OCC1OC(Oc2ccc3c(c2)OCC2c4ccc5c(c4OC32)OCO5)C(O)C(O)C1OAglycone:
Oc1ccc2c(c1)OCC1c3ccc4c(c3OC21)OCO4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 136.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD48912
Formula: C16H12O5
Smiles:
Oc1ccc2c(c1)OCC1c3ccc4c(c3OC21)OCO4| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
