Glycoside
GD158350
Name:
NoneFormula:
C68H84O24N4Smiles:
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])C4=C3C(=O)c3c(O)ccc(O)c3C4=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(CC)OC1CC(OC)C(O)C(C)O1)C1=C(O)c3c(O)ccc(O)c3C(=O)C1=C2Aglycone:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C(C(NN)C4=C3C(=O)c3c(O)ccc(O)c3C4=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)C1=C(O)c3c(O)ccc(O)c3C(=O)C1=C2Sugarmoiety:
COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 12 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 16 |
| MolWt: | 1341.42 | Num_heavy_atoms: | 96 |
| TPSA: | 400.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD45646
Formula: C54H62O18N4
Smiles:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C(C(NN)C4=C3C(=O)c3c(O)ccc(O)c3C4=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)C1=C(O)c3c(O)ccc(O)c3C(=O)C1=C2| HBA: | 22 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.5 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 1055.1 | Num_heavy_atoms: | 76 |
| TPSA: | 348.87 | NumAromaticRings: | 2 |
