Glycoside
GD151945
Name:
NoneFormula:
C68H125O27N3Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O3)C(N=C(C)O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCC(C)CC.COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(N=C(C)O)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.93 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 54 |
| MolWt: | 1416.74 | Num_heavy_atoms: | 98 |
| TPSA: | 510.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD45733
Formula: C23H38O18N2
Smiles:
COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(N=C(C)O)C(C(O)C(O)CO)O1| HBA: | 20 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.83 |
| AlogP: | -5.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 630.55 | Num_heavy_atoms: | 43 |
| TPSA: | 338.54 | NumAromaticRings: | 0 |
AD51580
Formula: C40H81O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCC(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.77 | Num_rotatable_bonds: | 36 |
| MolWt: | 656.09 | Num_heavy_atoms: | 46 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
