Glycoside
GD026438
Name:
NoneFormula:
C45H66O13Smiles:
CCOC(=O)CO[C@@H]1[C@H](C)O[C@H](O[C@@H]2C(C)=CC[C@@H]3C[C@H](C[C@]4(C=C[C@H](C)[C@H](C(C)CC)O4)O3)OC(=O)C3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@H]2C)C34O)C[C@H]1OCAglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.CCOC(=O)COSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 815.01 | Num_heavy_atoms: | 58 |
| TPSA: | 157.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00521
Formula: C34H48O8
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 584.75 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
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 |
