Glycoside
GD036727
Name:
NoneFormula:
C41H74O20N2Smiles:
CCCCCCCCCCCCCC=C[C@H](O)[C@H](N)CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCC=CC(O)C(N)CO.COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.9 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 28 |
| MolWt: | 915.04 | Num_heavy_atoms: | 63 |
| TPSA: | 370.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD03931
Formula: C18H37O2N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(N)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 299.5 | Num_heavy_atoms: | 21 |
| TPSA: | 66.48 | NumAromaticRings: | 0 |
AD04680
Formula: C12H21O9N
Smiles:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 165.78 | NumAromaticRings: | 0 |
