Glycoside
GD023374
Name:
methyl 7-(acetyloxy)-9-methyl-9-(4-methyl-5-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}penta-1,3-dien-1-yl)-11-oxo-10-oxatricyclo[6.3.2.0¹,â·]tridec-3-ene-4-carboxylateFormula:
C29H38O13Smiles:
COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[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:
COC(=O)C1=CCC23CCC(C(C)(C=CC=C(C)C(=O)O)OC2=O)C3(OC(C)=O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.66 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.61 | Num_heavy_atoms: | 42 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD15730
Formula: C23H28O8
Smiles:
COC(=O)C1=CCC23CCC(C(C)(C=CC=C(C)C(=O)O)OC2=O)C3(OC(C)=O)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.47 | Num_heavy_atoms: | 31 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
