Glycoside
GD107182
Name:
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1,13-dihydroxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.0²,¹¹.0âµ,¹â°.0¹â¶,¹â¹]nonadec-4-ene-12,18-dioneFormula:
C28H40O10Smiles:
CO[C@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@H]3C(=O)[C@]3(O)O[C@H](C)[C@@H]5CC(=O)[C@@]4(O)[C@@]53C)C2)[C@@H]1OAglycone:
CC1OC2(O)C(=O)C3C(CC=C4CC(O)CCC43C)C3(O)C(=O)CC1C23CSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 536.62 | Num_heavy_atoms: | 38 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD44286
Formula: C21H28O6
Smiles:
CC1OC2(O)C(=O)C3C(CC=C4CC(O)CCC43C)C3(O)C(=O)CC1C23C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
