Glycoside
GD002079
Name:
PICFELTARRACEMIN VIFormula:
C35H52O9Smiles:
CC(C)C1=CC(=O)[C@](C)([C@@H]2[C@H](O)C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@@]4(C)C(=O)C[C@]23C)O1Aglycone:
CC(C)C1=CC(=O)C(C)(C2C(O)CC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 616.79 | Num_heavy_atoms: | 44 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00378
Formula: C30H44O5
Smiles:
CC(C)C1=CC(=O)C(C)(C2C(O)CC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
