Glycoside
GD022676
Name:
NoneFormula:
C42H36O8N3ClSmiles:
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)Cc4ccccc4)[C@H](OC(=O)Cc4ccccc4)[C@H]3OC(=O)Cc3ccccc3)c(Cl)c2c1Aglycone:
COC(=O)Cc1ccccc1.COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3.O=C(O)Cc1ccccc1.O=C(O)Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 12 |
| MolWt: | 734.21 | Num_heavy_atoms: | 53 |
| TPSA: | 128.07 | NumAromaticRings: | 6 |
Unique Aglycone
AD00908
Formula: C9H10O2
Smiles:
COC(=O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD02162
Formula: C13H9ON3Cl
Smiles:
COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.68 | Num_heavy_atoms: | 17 |
| TPSA: | 48.58 | NumAromaticRings: | 2 |
