Glycoside
GD021193
Name:
NoneFormula:
C39H62O9N2Smiles:
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](CCNCCc2ccccc2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCc2ccccc2)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 702.93 | Num_heavy_atoms: | 50 |
| TPSA: | 158.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD04815
Formula: C31H47O6N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCc2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 529.72 | Num_heavy_atoms: | 38 |
| TPSA: | 116.09 | NumAromaticRings: | 1 |
