Glycoside
GD003652
Name:
NoneFormula:
C25H30O11N8Smiles:
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1cc(-c2cccc(C(=O)NC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)n2)nn1Aglycone:
CNC(=O)c1cccc(-c2cn(C3OC(CO)C(O)C(O)C3NC(C)=O)nn2)n1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -4.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.56 | Num_heavy_atoms: | 44 |
| TPSA: | 276.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD03292
Formula: C17H22O6N6
Smiles:
CNC(=O)c1cccc(-c2cn(C3OC(CO)C(O)C(O)C3NC(C)=O)nn2)n1| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.4 | Num_heavy_atoms: | 29 |
| TPSA: | 171.72 | NumAromaticRings: | 2 |
