Glycoside
GD129815
Name:
2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O15Smiles:
O=C1CC(c2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)Oc2cccc(OC3OC(CO)C(O)C(O)C3O)c21Aglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2cccc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD52308
Formula: C15H12O5
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2cccc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
