Glycoside
GD031971
Name:
NoneFormula:
C25H35O5N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(OC)cc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1ccc(N2CCN(CCNc3nc(N)c4c(n3)[N]C=N4)CC2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 541.61 | Num_heavy_atoms: | 39 |
| TPSA: | 176.15 | NumAromaticRings: | 3 |
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 |
AD20545
Formula: C18H23ON8
Smiles:
COc1ccc(N2CCN(CCNc3nc(N)c4c(n3)[N]C=N4)CC2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 367.44 | Num_heavy_atoms: | 27 |
| TPSA: | 106.0 | NumAromaticRings: | 2 |
