Glycoside
GD035882
Name:
NoneFormula:
C29H32O7N3ClSmiles:
CCOC(=O)NC(=O)NC[C@@H]1O[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCOC(=O)NC(=O)NC.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.03 | Num_heavy_atoms: | 39 |
| TPSA: | 142.28 | 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 |
AD22673
Formula: C5H10O3N2
Smiles:
CCOC(=O)NC(=O)NC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.15 | Num_heavy_atoms: | 10 |
| TPSA: | 67.43 | NumAromaticRings: | 0 |
