Glycoside
GD021614
Name:
NoneFormula:
C37H60O10N7PSmiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC3CCC(n4cnc5c(=O)[nH]cnc54)O3)C(O)C2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.COP(=O)(O)OCC1CCC(n2cnc3c(=O)[nH]cnc32)O1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 26 |
| MolWt: | 793.9 | Num_heavy_atoms: | 55 |
| TPSA: | 225.17 | NumAromaticRings: | 3 |
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 |
AD08072
Formula: C11H15O6N4P
Smiles:
COP(=O)(O)OCC1CCC(n2cnc3c(=O)[nH]cnc32)O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.24 | Num_heavy_atoms: | 22 |
| TPSA: | 128.56 | NumAromaticRings: | 2 |
