Glycoside
GD027865
Name:
NoneFormula:
C28H29O7N2ClSmiles:
COC(=O)C(=O)NC[C@@H]1O[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(=O)OC.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.99 | Num_heavy_atoms: | 37 |
| TPSA: | 130.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD00150
Formula: C19H16NCl
Smiles:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.79 | Num_heavy_atoms: | 20 |
| TPSA: | 15.79 | NumAromaticRings: | 3 |
AD18267
Formula: C4H7O3N
Smiles:
CNC(=O)C(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.1 | Num_heavy_atoms: | 8 |
| TPSA: | 55.4 | NumAromaticRings: | 0 |
