Glycoside
GD031377
Name:
NoneFormula:
C18H27O3N7Smiles:
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(CC=CCN)C2CC2)[C@H](O)[C@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1.CN(CC=CCN)C1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 389.46 | Num_heavy_atoms: | 28 |
| TPSA: | 148.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD00269
Formula: C6H6N5
Smiles:
CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD20223
Formula: C8H16N2
Smiles:
CN(CC=CCN)C1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 140.23 | Num_heavy_atoms: | 10 |
| TPSA: | 29.26 | NumAromaticRings: | 0 |
