Glycoside

GD004727
Name:
NoneFormula:
C46H73O9N17Smiles:
C[N+](C)(CCCC(=O)NCCCCn1nnc2c1CCCCCC2OCCNC(=O)CCC[N+](C)(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[N+](C)(C)CCCC(=O)NCCCCn1nnc2c1CCCCCC2OCCNC(=O)CCC[N+](C)(C)C.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 26 | RingCount: | 8 |
HBD: | 10 | FractionCSP3: | 0.7 |
AlogP: | -0.74 | Num_rotatable_bonds: | 23 |
MolWt: | 1008.2 | Num_heavy_atoms: | 72 |
TPSA: | 336.76 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2HBA: | 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 |
AD04087
Formula: C28H55O3N7
Smiles:
C[N+](C)(C)CCCC(=O)NCCCCn1nnc2c1CCCCCC2OCCNC(=O)CCC[N+](C)(C)CHBA: | 10 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.86 |
AlogP: | 2.44 | Num_rotatable_bonds: | 17 |
MolWt: | 537.79 | Num_heavy_atoms: | 38 |
TPSA: | 98.14 | NumAromaticRings: | 1 |