Glycoside
GD024759
Name:
NoneFormula:
C29H31O5N6ClSSmiles:
NC(CCSC[C@@H]1O[C@H](n2cnc3c(NCCc4ccc(-c5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
CSCCC(N)C(=O)O.Clc1nc2c(c(NCCc3ccc(-c4ccccc4)cc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 12 |
| MolWt: | 599.11 | Num_heavy_atoms: | 41 |
| TPSA: | 168.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD08017
Formula: C20H15N5Cl
Smiles:
Clc1nc2c(c(NCCc3ccc(-c4ccccc4)cc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.82 | Num_heavy_atoms: | 25 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
