Glycoside
GD125000
Name:
3-{4-hydroxy-3,5-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-1-(2,4,6-trihydroxyphenyl)propan-1-oneFormula:
C27H34O15Smiles:
O=C(CCc1cc(C2OC(CO)C(O)C(O)C2O)c(O)c(C2OC(CO)C(O)C(O)C2O)c1)c1c(O)cc(O)cc1OAglycone:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 278.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
