Glycoside
GD089141
Name:
NoneFormula:
C19H27O5N8Smiles:
CC(C)c1[nH+]ccn1CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1OAglycone:
CC(C)c1[nH+]ccn1CCCNC=O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.48 | Num_heavy_atoms: | 32 |
| TPSA: | 187.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD38932
Formula: C10H18ON3
Smiles:
CC(C)c1[nH+]ccn1CCCNC=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 196.27 | Num_heavy_atoms: | 14 |
| TPSA: | 48.17 | NumAromaticRings: | 1 |
