Glycoside
GD017163
Name:
NoneFormula:
C45H84O10N3Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@H](C(C)O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)[O-])C(=O)NCAglycone:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CCC(=O)[O-])C(=O)NCSugarmoiety:
CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 5.87 | Num_rotatable_bonds: | 38 |
| MolWt: | 827.18 | Num_heavy_atoms: | 58 |
| TPSA: | 206.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD12282
Formula: C39H74O6N3
Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CCC(=O)[O-])C(=O)NC| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 7.02 | Num_rotatable_bonds: | 35 |
| MolWt: | 681.04 | Num_heavy_atoms: | 48 |
| TPSA: | 147.66 | NumAromaticRings: | 0 |
