Glycoside
GD007269
Name:
NoneFormula:
C32H40O4N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N[C@H]4CC[C@@H](N)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.NC1CCC(Nc2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 600.72 | Num_heavy_atoms: | 44 |
| TPSA: | 172.47 | NumAromaticRings: | 4 |
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 |
AD05929
Formula: C25H28N7
Smiles:
NC1CCC(Nc2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)CC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.55 | Num_heavy_atoms: | 32 |
| TPSA: | 102.32 | NumAromaticRings: | 3 |
