Glycoside
GD120655
Name:
1-methyl 3-(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl propanedioateFormula:
C26H26O12Smiles:
COC(=O)CC(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)OC.COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.48 | Num_heavy_atoms: | 38 |
| TPSA: | 171.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD08007
Formula: C16H12O4
Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
AD21942
Formula: C5H8O4
Smiles:
COC(=O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
