Glycoside
GD025424
Name:
PICFELTARRACEMIN IVFormula:
C47H72O18Smiles:
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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[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:
CC1OC(OC2C(OC3C(O)COC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 925.08 | Num_heavy_atoms: | 65 |
| TPSA: | 280.82 | 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 |
