Glycoside
GD116698
Name:
NoneFormula:
C68H84O24N6Smiles:
CCC1(OC2CC(OC)C(O)C(C)O2)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C(C(N[N-])c4c3c(=O)c3c(O)[cH+][cH+]c(O)c-3c4=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(CC)OC1CC(OC)C(O)C(C)O1)C1=C(C(=O)c3c(O)ccc(O)c3C1=O)C2N[N-]Aglycone:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C(C(N[NH-])c4c3c(=O)c3c(O)[cH+][cH+]c(O)c-3c4=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)C1=C(C(=O)c3c(O)ccc(O)c3C1=O)C2N[NH-]Sugarmoiety:
COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 12 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 17 |
| MolWt: | 1369.44 | Num_heavy_atoms: | 98 |
| TPSA: | 431.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD46390
Formula: C54H62O18N6
Smiles:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C(C(N[NH-])c4c3c(=O)c3c(O)[cH+][cH+]c(O)c-3c4=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)C1=C(C(=O)c3c(O)ccc(O)c3C1=O)C2N[NH-]| HBA: | 24 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 1083.11 | Num_heavy_atoms: | 78 |
| TPSA: | 379.32 | NumAromaticRings: | 1 |
