Glycoside
GD121271
Name:
(3,4,5-trihydroxy-6-{[2-(4-hydroxyphenyl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methyl 4-hydroxybenzoateFormula:
C29H30O11Smiles:
COC1CC(c2ccc(O)cc2)Oc2cc(OC3OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C3O)ccc21Aglycone:
COC(=O)c1ccc(O)cc1.COC1CC(c2ccc(O)cc2)Oc2cc(O)ccc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 554.55 | Num_heavy_atoms: | 40 |
| TPSA: | 164.37 | 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 |
AD48802
Formula: C16H16O4
Smiles:
COC1CC(c2ccc(O)cc2)Oc2cc(O)ccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.3 | Num_heavy_atoms: | 20 |
| TPSA: | 58.92 | NumAromaticRings: | 2 |
