Glycoside
GD033201
Name:
NoneFormula:
C33H40O8N7PClSSmiles:
CSCCCOP(=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)OCCCSC.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: | 0.41 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 17 |
| MolWt: | 749.21 | Num_heavy_atoms: | 50 |
| 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 |
AD21212
Formula: C15H23O3N2PS
Smiles:
COP(=O)(NCCc1c[nH]c2ccccc12)OCCCSC| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 342.4 | Num_heavy_atoms: | 22 |
| TPSA: | 63.35 | NumAromaticRings: | 2 |
