Glycoside
GD128634
Name:
(3,4,5-trihydroxy-6-{5-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxan-2-yl)methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C30H32O13Smiles:
COc1cc(C(=O)OCC2OC(Oc3cc(O)ccc3C(=O)CCc3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.O=C(CCc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 600.57 | Num_heavy_atoms: | 43 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | 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 |
