Glycoside
GD034609
Name:
NoneFormula:
C25H38O9N8Smiles:
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)CC(=O)NC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 14 |
| MolWt: | 594.63 | Num_heavy_atoms: | 42 |
| TPSA: | 253.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD21984
Formula: C16H29O6N3
Smiles:
CCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)CC(=O)NC| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 359.42 | Num_heavy_atoms: | 25 |
| TPSA: | 133.83 | NumAromaticRings: | 0 |
