Glycoside
GD032864
Name:
NoneFormula:
C46H80O16N2Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)[C@H](CCN)C[C@H](C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 13 |
| MolWt: | 917.14 | Num_heavy_atoms: | 64 |
| TPSA: | 247.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD16681
Formula: C23H39O6N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 425.57 | Num_heavy_atoms: | 30 |
| TPSA: | 130.08 | NumAromaticRings: | 0 |
