Glycoside
GD034462
Name:
NoneFormula:
C27H41O10N7Smiles:
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCCC(=O)OC[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)CCCC(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 16 |
| MolWt: | 623.66 | Num_heavy_atoms: | 44 |
| TPSA: | 250.34 | 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 |
AD21907
Formula: C18H32O7N2
Smiles:
CCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)CCCC(=O)OC| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 131.03 | NumAromaticRings: | 0 |
