Glycoside
GD016025
Name:
NoneFormula:
C21H27O6N6ClSmiles:
O=C(NC1CCCC1)OC[C@@H]1OC(n2cnc3c(NC4CCOC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COC(=O)NC1CCCC1.Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.93 | Num_heavy_atoms: | 33 |
| 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 |
AD11582
Formula: C7H13O2N
Smiles:
COC(=O)NC1CCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.19 | Num_heavy_atoms: | 10 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
