Glycoside
GD011898
Name:
NoneFormula:
C27H34O9N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CC(=O)O)C(=O)O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(CCC(=O)NC(CC(=O)O)C(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 614.62 | Num_heavy_atoms: | 44 |
| TPSA: | 264.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD09021
Formula: C20H22O5N7
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)NC(CC(=O)O)C(=O)O)cc2)nc2c1N=C[N]2| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 440.44 | Num_heavy_atoms: | 32 |
| TPSA: | 193.99 | NumAromaticRings: | 2 |
