Glycoside
GD000231
Name:
NoneFormula:
C17H25O4N5Smiles:
C[C@@H]1O[C@H](n2cnc3c(N)nc(O[C@H]4CC[C@@H](C)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CC1CCC(Oc2nc(N)c3c(n2)[N]C=N3)CC1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.42 | Num_heavy_atoms: | 26 |
| TPSA: | 128.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD00267
Formula: C12H16ON5
Smiles:
CC1CCC(Oc2nc(N)c3c(n2)[N]C=N3)CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.29 | Num_heavy_atoms: | 18 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
