Glycoside
GD020530
Name:
NoneFormula:
C23H40O11N8Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2NCCNC(=O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(NCCNC=O)C1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.78 |
| AlogP: | -8.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 604.62 | Num_heavy_atoms: | 42 |
| TPSA: | 328.91 | NumAromaticRings: | 1 |
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 |
AD08021
Formula: C9H20O3N4
Smiles:
NC1CC(N)C(O)C(NCCNC=O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 232.28 | Num_heavy_atoms: | 16 |
| TPSA: | 133.63 | NumAromaticRings: | 0 |
