Glycoside
GD000470
Name:
NoneFormula:
C29H35O4N7Smiles:
Cc1c(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NC3CC3)[C@H](O)[C@H]2O)c2ccccc2n1C1CCCC1Aglycone:
Cc1c(CCNc2ncnc3c2N=C[N]3)c2ccccc2n1C1CCCC1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 545.64 | Num_heavy_atoms: | 40 |
| TPSA: | 139.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00526
Formula: C21H23N6
Smiles:
Cc1c(CCNc2ncnc3c2N=C[N]3)c2ccccc2n1C1CCCC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 359.46 | Num_heavy_atoms: | 27 |
| TPSA: | 69.2 | NumAromaticRings: | 3 |
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
