Glycoside
GD005748
Name:
NoneFormula:
C26H39O15N9P2SSmiles:
CO[C@@H]1[C@H](OP(=O)(NCCCCCC(=O)O)OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)[C@H](COP(=O)(O)S)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)NCCCCCC(=O)O.COP(=O)(O)S.Nc1cc[nH]c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1OC(O)OC1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 18 |
| MolWt: | 811.66 | Num_heavy_atoms: | 53 |
| TPSA: | 350.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD00655
Formula: CH5O3PS
Smiles:
COP(=O)(O)S| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.09 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD04837
Formula: C7H16O5NP
Smiles:
COP(=O)(O)NCCCCCC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 225.18 | Num_heavy_atoms: | 14 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
