Glycoside
GD020805
Name:
INARIGIVIR SOPROXILFormula:
C25H34O13N7PSSmiles:
CO[C@@H]1[C@H](OP(=O)(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)C[C@H]2O)SCOC(=O)OC(C)C)[C@H](CO)O[C@H]1n1ccc(=O)[nH]c1=OAglycone:
CC(C)OC(=O)OCSP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)CC1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 703.62 | Num_heavy_atoms: | 47 |
| TPSA: | 263.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD14307
Formula: C15H22O8N5PS
Smiles:
CC(C)OC(=O)OCSP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)CC1O| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 463.41 | Num_heavy_atoms: | 30 |
| TPSA: | 181.14 | NumAromaticRings: | 2 |
