Glycoside
GD022640
Name:
NoneFormula:
C39H30O10NClSmiles:
CCOC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=OAglycone:
CCOC(=O)c1c[nH]c2ccc(Cl)cc2c1=O.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 696.11 | Num_heavy_atoms: | 50 |
| TPSA: | 136.43 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD15325
Formula: C13H10O3NCl
Smiles:
CCOC(=O)c1c[nH]c2ccc(Cl)cc2c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.67 | Num_heavy_atoms: | 17 |
| TPSA: | 59.16 | NumAromaticRings: | 2 |
