Glycoside
GD016353
Name:
8-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-1(21),10-dien-14-oneFormula:
C28H40O9Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@H]43)[C@H]56)C2)O[C@@H](C)[C@H]1OAglycone:
CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.62 | Num_heavy_atoms: | 37 |
| TPSA: | 112.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00194
Formula: C21H28O5
Smiles:
CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
