Glycoside
GD137095
Name:
2-[(2-{[2-({4,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]oxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl octadecanoateFormula:
C55H80O23Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC1C(OC2C(OC3C(OC4C(Oc5ccc(-c6cc(=O)c7c(O)cc(OC)cc7o6)cc5OC)OCC(O)C4O)OCC(O)C3O)OCC(O)C2O)OCC(O)C1OAglycone:
CCCCCCCCCCCCCCCCCC(=O)O.COc1cc(O)c2c(=O)cc(-c3ccc(O)c(OC)c3)oc2c1Sugarmoiety:
OC1COC(OC2C(OC3C(OC4C(O)OCC(O)C4O)OCC(O)C3O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 28 |
| MolWt: | 1109.22 | Num_heavy_atoms: | 78 |
| TPSA: | 330.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD02455
Formula: C18H36O2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 284.48 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD11378
Formula: C17H14O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(OC)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
