Glycoside
GD024405
Name:
NoneFormula:
C52H80O17Smiles:
CCOC(=O)CO[C@@H]1[C@H](C)O[C@H](OC2[C@H](C)O[C@H](OC3C(C)=CC[C@@H]4C[C@H](C[C@]5(CC(O)[C@H](C)[C@H](C(C)CC)O5)O4)OC(=O)C4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@H]3C)C45O)C[C@H]2OC)C[C@H]1OCAglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C.CCOC(=O)COSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 977.2 | Num_heavy_atoms: | 69 |
| TPSA: | 205.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD07875
Formula: C4H8O3
Smiles:
CCOC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD08649
Formula: C34H50O9
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.77 | Num_heavy_atoms: | 43 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
