Glycoside
GD014027
Name:
NoneFormula:
C58H104O16N8P2Smiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])OCCCCCCCCCCCCCCCCCC)C(O)C2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OC)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 12.27 | Num_rotatable_bonds: | 51 |
| MolWt: | 1231.46 | Num_heavy_atoms: | 84 |
| TPSA: | 330.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD02079
Formula: C22H41ON3
Smiles:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 18 |
| MolWt: | 363.59 | Num_heavy_atoms: | 26 |
| TPSA: | 57.78 | NumAromaticRings: | 1 |
AD10387
Formula: C32H59O12N5P2
Smiles:
CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OC)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]| HBA: | 17 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 7.36 | Num_rotatable_bonds: | 30 |
| MolWt: | 767.79 | Num_heavy_atoms: | 51 |
| TPSA: | 233.6 | NumAromaticRings: | 1 |
