Glycoside
GD097567
Name:
NoneFormula:
C21H27O5N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N=C4CCN(C(=O)C5CC5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=C(C1CC1)N1CCC(=Nc2ncnc3c2N=C[N]3)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 457.49 | Num_heavy_atoms: | 33 |
| TPSA: | 155.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD41004
Formula: C14H15ON6
Smiles:
O=C(C1CC1)N1CCC(=Nc2ncnc3c2N=C[N]3)CC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 283.32 | Num_heavy_atoms: | 21 |
| TPSA: | 84.91 | NumAromaticRings: | 1 |
