Glycoside
GD032335
Name:
NoneFormula:
C45H81O13N3Smiles:
CC[C@@H]1OC(=O)CC(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](CCN(C)CCCN(C)C)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN(C)CCCN(C)C)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 16 |
| MolWt: | 872.15 | Num_heavy_atoms: | 61 |
| TPSA: | 189.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD20747
Formula: C29H52O6N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN(C)CCCN(C)C)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.74 | Num_heavy_atoms: | 37 |
| TPSA: | 110.54 | NumAromaticRings: | 0 |
