Glycoside
GD021297
Name:
NoneFormula:
C46H75O10N3Smiles:
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(=NOCCOc2ccccc2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCOc2ccccc2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 830.12 | Num_heavy_atoms: | 59 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD14585
Formula: C38H60O7N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCOc2ccccc2)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 656.91 | Num_heavy_atoms: | 47 |
| TPSA: | 121.05 | NumAromaticRings: | 1 |
