Glycoside
GD133001
Name:
celosin fFormula:
C35H50O12Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C(=O)O)C2C1CAglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C(=O)O)C2C1CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.77 | Num_heavy_atoms: | 47 |
| TPSA: | 211.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD53843
Formula: C30H42O8
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C(=O)O)C2C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 152.36 | NumAromaticRings: | 0 |
