Glycoside
GD001986
Name:
11,11'-O-Dimethyl-14'-Deethyl-14'-MethylelaiophylinFormula:
C55H90O18Smiles:
CC[C@@H]1[C@H](C)O[C@](OC)([C@H](C)[C@H](O)[C@H](C)[C@@H]2OC(=O)C=CC=C[C@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]3(OC)C[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)[C@H](C)O3)OC(=O)C=CC=C[C@H]2C)C[C@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1Aglycone:
CCC1C(O)CC(OC)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(O)C(C)C(C)O3)OC(=O)C=CC=CC2C)OC1CSugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 15 |
| MolWt: | 1039.31 | Num_heavy_atoms: | 73 |
| TPSA: | 247.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD01933
Formula: C43H70O12
Smiles:
CCC1C(O)CC(OC)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(O)C(C)C(C)O3)OC(=O)C=CC=CC2C)OC1C| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 779.02 | Num_heavy_atoms: | 55 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
