Glycoside
GD154898
Name:
AdenosylhopaneFormula:
C40H63O3N5Smiles:
CC(CCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 7.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 661.98 | Num_heavy_atoms: | 48 |
| TPSA: | 119.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD09499
Formula: C31H54
Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 9.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 426.77 | Num_heavy_atoms: | 31 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
