Glycoside
GD146462
Name:
4,5-dihydroxy-2-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl 3,4,5-trimethoxybenzoateFormula:
C31H34O13Smiles:
COc1ccc(C=Cc2cc(O)cc(OC3OC(CO)C(O)C(O)C3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OAglycone:
COc1cc(C(=O)O)cc(OC)c1OC.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 614.6 | Num_heavy_atoms: | 44 |
| TPSA: | 182.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD07161
Formula: C10H12O5
Smiles:
COc1cc(C(=O)O)cc(OC)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD11932
Formula: C15H14O4
Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
