Glycoside
GD034226
Name:
NoneFormula:
C52H76O17Smiles:
CCc1cc(O)cc(O)c1C(=O)O[C@H]1[C@H](C)O[C@@H](OCC2=CC=CC[C@H](O)C(C)=C[C@H](CC)[C@H](O[C@@H]3OC(C)(C)[C@H](OC(=O)C(C)C)[C@H](O)[C@H]3O)C(C)=CC(C)=CC[C@H](CC)OC2=O)[C@@H](OC)[C@H]1OAglycone:
CC(C)C(=O)O.CCC1CC=C(C)C=C(C)C(O)C(CC)C=C(C)C(O)CC=CC=C(CO)C(=O)O1.CCc1cc(O)cc(O)c1C(=O)OSugarmoiety:
CC1(C)OC(O)C(O)C(O)C1O.COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | 5.96 | Num_rotatable_bonds: | 13 |
| MolWt: | 973.16 | Num_heavy_atoms: | 69 |
| TPSA: | 246.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02965
Formula: C9H10O4
Smiles:
CCc1cc(O)cc(O)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD08608
Formula: C25H38O5
Smiles:
CCC1CC=C(C)C=C(C)C(O)C(CC)C=C(C)C(O)CC=CC=C(CO)C(=O)O1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.57 | Num_heavy_atoms: | 30 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
