Glycoside
GD036626
Name:
NoneFormula:
C27H27O8N7Smiles:
O=C(N[C@H](Cc1cn(C[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)nn1)C(=O)NO)c1ccc(-c2ccccc2)cc1Aglycone:
Cn1cc(CC(NC(=O)c2ccc(-c3ccccc3)cc2)C(=O)NO)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 577.55 | Num_heavy_atoms: | 42 |
| TPSA: | 213.69 | NumAromaticRings: | 4 |
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 |
AD23091
Formula: C19H19O3N5
Smiles:
Cn1cc(CC(NC(=O)c2ccc(-c3ccccc3)cc2)C(=O)NO)nn1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.39 | Num_heavy_atoms: | 27 |
| TPSA: | 109.14 | NumAromaticRings: | 3 |
