Glycoside
GD112590
Name:
OleficinFormula:
C34H47O9NSmiles:
CC(/C=C/C=C/C=C/C=C/C=C/C(O)=C1/C(=O)[C@H](CCC(=O)O)N(C)C1=O)=C\[C@H](C)[C@@H](O[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1)C(C)CAglycone:
CC(C=CC=CC=CC=CC=CC(O)=C1C(=O)C(CCC(=O)O)N(C)C1=O)=CC(C)C(O)C(C)CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 613.75 | Num_heavy_atoms: | 44 |
| TPSA: | 153.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD44784
Formula: C28H37O6N
Smiles:
CC(C=CC=CC=CC=CC=CC(O)=C1C(=O)C(CCC(=O)O)N(C)C1=O)=CC(C)C(O)C(C)C| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 483.61 | Num_heavy_atoms: | 35 |
| TPSA: | 115.14 | NumAromaticRings: | 0 |
