Glycoside
GD000628
Name:
NoneFormula:
C28H46O12N2Smiles:
CC[C@H](C)[C@H](NCCC1OCC(C)(C)CO1)C(=O)N[C@@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CCC(C)C(NCCC1OCC(C)(C)CO1)C(N)=O.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 13 |
| MolWt: | 602.68 | Num_heavy_atoms: | 42 |
| TPSA: | 174.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00684
Formula: C14H28O3N2
Smiles:
CCC(C)C(NCCC1OCC(C)(C)CO1)C(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 272.39 | Num_heavy_atoms: | 19 |
| TPSA: | 73.58 | NumAromaticRings: | 0 |
