Glycoside
GD124503
Name:
NoneFormula:
C38H60O27N8P2Smiles:
CC(O)=NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)OAglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)O.COP(=O)(O)OP(=O)(O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
CC(O)=NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.68 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 29 |
| MolWt: | 1122.87 | Num_heavy_atoms: | 75 |
| TPSA: | 566.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD46402
Formula: C21H35O11N5
Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)O| HBA: | 16 | RingCount: | 0 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 17 |
| MolWt: | 533.54 | Num_heavy_atoms: | 37 |
| TPSA: | 288.51 | NumAromaticRings: | 0 |
