Glycoside
GD129548
Name:
NoneFormula:
C75H137O32N3Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(O)COC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC)O4)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC.COC(CO)C(O)C1OC(OCC(O)=NC2C(O)CC(O)(C(=O)O)OC2C(O)C(O)CO)(C(=O)O)CC(O)C1N=C(C)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 4 |
| HBD: | 21 | FractionCSP3: | 0.93 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 59 |
| MolWt: | 1592.91 | Num_heavy_atoms: | 110 |
| TPSA: | 579.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD45045
Formula: C40H81O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.91 | Num_rotatable_bonds: | 37 |
| MolWt: | 656.09 | Num_heavy_atoms: | 46 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
AD50039
Formula: C23H38O18N2
Smiles:
COC(CO)C(O)C1OC(OCC(O)=NC2C(O)CC(O)(C(=O)O)OC2C(O)C(O)CO)(C(=O)O)CC(O)C1N=C(C)O| 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 |
