Glycoside
GD146383
Name:
NoneFormula:
C59H112O19N2Smiles:
CCCCCCCCCCCCCCCCCCCCCC(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(O)CCCCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(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: | 21 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.95 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 49 |
| MolWt: | 1153.54 | Num_heavy_atoms: | 80 |
| TPSA: | 361.93 | 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 |
AD48074
Formula: C42H85O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.55 | Num_rotatable_bonds: | 38 |
| MolWt: | 684.14 | Num_heavy_atoms: | 48 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
