Glycoside
GD034206
Name:
NoneFormula:
C26H44O13N7P2ClSmiles:
CCCC(CCC)COC(=O)[C@H](C)NP(=O)(OCCNC(=O)CCl)OP(=O)(O)OC[C@@H]1O[C@H](N2C=NC3C(=O)NC(N)=NC32)[C@H](O)[C@H]1OAglycone:
CCCC(CCC)COC(=O)C(C)NP(=O)(OCCNC(=O)CCl)OP(=O)(O)OC.NC1=NC2NC=NC2C(=O)N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 20 |
| MolWt: | 748.06 | Num_heavy_atoms: | 48 |
| TPSA: | 282.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD05939
Formula: C5H7ON5
Smiles:
NC1=NC2NC=NC2C(=O)N1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 91.87 | NumAromaticRings: | 0 |
AD21771
Formula: C17H33O9N2P2Cl
Smiles:
CCCC(CCC)COC(=O)C(C)NP(=O)(OCCNC(=O)CCl)OP(=O)(O)OC| HBA: | 11 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 17 |
| MolWt: | 494.85 | Num_heavy_atoms: | 30 |
| TPSA: | 149.49 | NumAromaticRings: | 0 |
