Glycoside
GD004379
Name:
NoneFormula:
C45H77O17N3Smiles:
CCOC(=O)NN(CC[C@@H]1C[C@H](C)C(=O)C=CC(C)=C[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC)[C@H](CC)OC(=O)C[C@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]1O)C(=O)OCCAglycone:
CCOC(=O)NN(CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)C(=O)OCCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 14 |
| MolWt: | 932.12 | Num_heavy_atoms: | 65 |
| TPSA: | 250.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD03833
Formula: C29H48O10N2
Smiles:
CCOC(=O)NN(CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)C(=O)OCC| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.71 | Num_heavy_atoms: | 41 |
| TPSA: | 171.93 | NumAromaticRings: | 0 |
