Glycoside
GD010342
Name:
NoneFormula:
C34H40O17N5PSmiles:
CC(=O)NC1C(O)CC(OP(=O)(O)OC[C@@H]2OC(n3ccc(N)nc3=O)[C@H](O)[C@H]2O)(C(=O)O)OC1[C@H](O)[C@H](O)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1Aglycone:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.41 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 15 |
| MolWt: | 821.69 | Num_heavy_atoms: | 57 |
| TPSA: | 348.85 | 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 |
AD08004
Formula: C26H31O13N2P
Smiles:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)O1| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 610.51 | Num_heavy_atoms: | 42 |
| TPSA: | 238.25 | NumAromaticRings: | 2 |
