Glycoside
GD011700
Name:
NoneFormula:
C32H38O8N7PClSSmiles:
CSCCOP(=O)(NCCc1c[nH]c2ccccc12)OC[C@@H]1O[C@H](n2c[n+](CCOc3ccc(Cl)cc3)c3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(NCCc1c[nH]c2ccccc12)OCCSC.Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Cl)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 16 |
| MolWt: | 735.18 | Num_heavy_atoms: | 49 |
| TPSA: | 202.85 | NumAromaticRings: | 5 |
Unique Aglycone
AD04083
Formula: C14H12O2N5Cl
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Cl)cc1)=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.72 | Num_heavy_atoms: | 21 |
| TPSA: | 98.11 | NumAromaticRings: | 2 |
AD08909
Formula: C14H21O3N2PS
Smiles:
COP(=O)(NCCc1c[nH]c2ccccc12)OCCSC| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 328.37 | Num_heavy_atoms: | 21 |
| TPSA: | 63.35 | NumAromaticRings: | 2 |
