Glycoside
GD140446
Name:
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-ethenyl-4a-hydroxy-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C22H32O15Smiles:
C=CC1C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC=C2C(=O)OCCC21OAglycone:
C=CC1C(O)OC=C2C(=O)OCCC21OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -4.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.48 | Num_heavy_atoms: | 37 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD13512
Formula: C10H12O5
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
