Glycoside
GD129919
Name:
(3,4,5-trihydroxy-6-{5-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxan-2-yl)methyl 4-hydroxybenzoateFormula:
C28H28O11Smiles:
O=C(OCC1OC(Oc2cc(O)ccc2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.O=C(CCc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.52 | Num_heavy_atoms: | 39 |
| TPSA: | 183.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD05271
Formula: C15H14O4
Smiles:
O=C(CCc1ccc(O)cc1)c1ccc(O)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
