Glycoside
GD030373
Name:
NoneFormula:
C38H67O9N3Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCN2CC(C)CC(C)C2)C[C@H](C)C(=NO)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NO)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 709.97 | Num_heavy_atoms: | 50 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD19656
Formula: C30H52O6N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NO)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.75 | Num_heavy_atoms: | 38 |
| TPSA: | 122.82 | NumAromaticRings: | 0 |
