Glycoside
GD017175
Name:
NoneFormula:
C43H61O11N2Smiles:
CC[C@@H]1CCC[C@H](OC(=O)CCC[n+]2cccc(C(N)=O)c2)[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(OC(=O)CCC[n+]2cccc(C(N)=O)c2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 781.96 | Num_heavy_atoms: | 56 |
| TPSA: | 162.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD12291
Formula: C34H45O7N2
Smiles:
CCC1CCCC(OC(=O)CCC[n+]2cccc(C(N)=O)c2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 593.74 | Num_heavy_atoms: | 43 |
| TPSA: | 136.87 | NumAromaticRings: | 1 |
