Glycoside
GD110468
Name:
NoneFormula:
C29H42O10N2Smiles:
CCCCCCCCNC(=O)c1ccccc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=OAglycone:
CCCCCCCCNC(=O)c1ccccc1O.COC(C)=OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 15 |
| MolWt: | 578.66 | Num_heavy_atoms: | 41 |
| TPSA: | 155.56 | NumAromaticRings: | 1 |
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 |
AD44645
Formula: C15H23O2N
Smiles:
CCCCCCCCNC(=O)c1ccccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 249.35 | Num_heavy_atoms: | 18 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |