Glycoside
GD131438
Name:
{3,4,5-trihydroxy-6-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-6-yl)oxy]oxan-2-yl}methyl 4-methoxybenzoateFormula:
C24H26O11Smiles:
COc1ccc(C(=O)OCC2OC(Oc3cc(O)c4c(c3)CC(C)OC4=O)C(O)C(O)C2O)cc1Aglycone:
CC1Cc2cc(O)cc(O)c2C(=O)O1.COC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.46 | Num_heavy_atoms: | 35 |
| TPSA: | 161.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD02530
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD50270
Formula: C10H10O4
Smiles:
CC1Cc2cc(O)cc(O)c2C(=O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
