Glycoside
GD004048
Name:
NoneFormula:
C52H80O11N3Smiles:
CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)CCCCCC[n+]3cccc(C(N)=O)c3)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@H]3[C@H]4C[C@@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@H]5OC)C[C@H]4C=C[C@@H]3[C@H]2CC(=O)O1Aglycone:
CCC1CCCC(OC2CCC(N(C)CCCCCC[n+]3cccc(C(N)=O)c3)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 17 |
| MolWt: | 923.22 | Num_heavy_atoms: | 66 |
| TPSA: | 158.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD03588
Formula: C43H64O7N3
Smiles:
CCC1CCCC(OC2CCC(N(C)CCCCCC[n+]3cccc(C(N)=O)c3)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 735.0 | Num_heavy_atoms: | 53 |
| TPSA: | 132.27 | NumAromaticRings: | 1 |
