Glycoside
GD009706
Name:
NoneFormula:
C20H32O19N3P3Smiles:
COP(=O)(N[C@@H]1CO[C@H](OP(=O)(O)OP(=O)(O)C[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OCAglycone:
COP(N)(=O)OC.CP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OC(C)=O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 13 |
| MolWt: | 711.4 | Num_heavy_atoms: | 45 |
| TPSA: | 307.0 | NumAromaticRings: | 1 |
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 |
AD03676
Formula: C2H8O3NP
Smiles:
COP(N)(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 125.06 | Num_heavy_atoms: | 7 |
| TPSA: | 61.55 | NumAromaticRings: | 0 |
AD07585
Formula: CH6O6P2
Smiles:
CP(=O)(O)OP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
