Glycoside
GD125432
Name:
2-{[4-hydroxy-4-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H38O15Smiles:
OCC1OC(OC2C(OCC3OC(OCCc4ccccc4)C(O)C(O)C3O)OCC2(O)CO)C(O)C(O)C1OAglycone:
OCCc1ccccc1Sugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC2(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -4.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 578.56 | Num_heavy_atoms: | 40 |
| TPSA: | 237.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD00027
Formula: C8H10O
Smiles:
OCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
