Glycoside
GD032208
Name:
NoneFormula:
C27H39O6N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(OCCOC)cc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COCCOc1ccc(N2CCN(CCNc3nc(N)c4c(n3)[N]C=N4)CC2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 585.67 | Num_heavy_atoms: | 42 |
| TPSA: | 185.38 | 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 |
AD20679
Formula: C20H27O2N8
Smiles:
COCCOc1ccc(N2CCN(CCNc3nc(N)c4c(n3)[N]C=N4)CC2)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 411.49 | Num_heavy_atoms: | 30 |
| TPSA: | 115.23 | NumAromaticRings: | 2 |
