Glycoside
GD033544
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[7-(acetyloxy)-3-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,â·]tridec-4-en-9-yl]-2-methylpenta-2,4-dienoateFormula:
C28H38O12Smiles:
CC(=O)O[C@@]12CC=C(C)[C@H](O)C[C@@]13CC[C@H]2[C@@](C)(C=CC=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC3=OAglycone:
CC(=O)OC12CC=C(C)C(O)CC13CCC2C(C)(C=CC=C(C)C(=O)O)OC3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 566.6 | Num_heavy_atoms: | 40 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD21399
Formula: C22H28O7
Smiles:
CC(=O)OC12CC=C(C)C(O)CC13CCC2C(C)(C=CC=C(C)C(=O)O)OC3=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.46 | Num_heavy_atoms: | 29 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
