Glycoside
GD016443
Name:
NoneFormula:
C20H27O6N6ClSmiles:
CCCNC(=O)OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@@](C)(O)[C@H]1OAglycone:
CCCNC(=O)OC.Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.91 | Num_heavy_atoms: | 32 |
| TPSA: | 152.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00046
Formula: C10H9ON5Cl
Smiles:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.66 | Num_heavy_atoms: | 16 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD11282
Formula: C5H11O2N
Smiles:
CCCNC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
