Glycoside
GD148314
Name:
3R,5R,6S,7E,9R-Megastigman-7-En-3,5,6,9-Tetrol-9-O-Β-D-Apiofuranosyl-(1→2)-Β-D-GlucopyranosideFormula:
C24H42O13Smiles:
CC(C=CC1(O)C(C)(C)CC(O)CC1(C)O)OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
CC(O)C=CC1(O)C(C)(C)CC(O)CC1(C)OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.59 | Num_heavy_atoms: | 37 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD06644
Formula: C13H24O4
Smiles:
CC(O)C=CC1(O)C(C)(C)CC(O)CC1(C)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.33 | Num_heavy_atoms: | 17 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
