Glycoside
GD006687
Name:
NoneFormula:
C46H75O18NSmiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](OC2OC(C)C(OC(C)=O)C(N(C)C(C)=O)C2OC(C)=O)[C@H](CC(OC)OC)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(OC)OC)CC(C)C(=O)C=CC(C)=CC1CO.CNC(C)=OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 15 |
| MolWt: | 930.1 | Num_heavy_atoms: | 65 |
| TPSA: | 230.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD05502
Formula: C25H42O8
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(OC)OC)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.6 | Num_heavy_atoms: | 33 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
