Glycoside
GD001470
Name:
NoneFormula:
C17H27O16N3P2Smiles:
CC(=O)N[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@@H](CO)C[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(CO)CC(O)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 591.36 | Num_heavy_atoms: | 38 |
| TPSA: | 285.63 | 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 |
AD01471
Formula: C9H19O11NP2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(CO)CC(O)C1NC(C)=O| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 379.2 | Num_heavy_atoms: | 23 |
| TPSA: | 181.08 | NumAromaticRings: | 0 |
