Glycoside
GD000334
Name:
Picfeltarraenin IaFormula:
C41H62O13Smiles:
CC(C)C1=CC(=O)[C@](C)(C2[C@H](O)C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)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(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 762.93 | Num_heavy_atoms: | 54 |
| TPSA: | 201.67 | 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 |
