Glycoside
GD140465
Name:
NoneFormula:
C58H106O18N2Smiles:
CCCCCCCCC=CCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C=CCCCCCCCCCC(C)CAglycone:
CCCCCCCCC=CCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCCC(C)C.COC1(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.88 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 46 |
| MolWt: | 1119.48 | Num_heavy_atoms: | 78 |
| TPSA: | 341.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD46136
Formula: C12H21O10N
Smiles:
COC1(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 339.3 | Num_heavy_atoms: | 23 |
| TPSA: | 189.5 | NumAromaticRings: | 0 |
AD56639
Formula: C41H79O4N
Smiles:
CCCCCCCCC=CCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCCC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 11.74 | Num_rotatable_bonds: | 35 |
| MolWt: | 650.09 | Num_heavy_atoms: | 46 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
