Glycoside
GD122293
Name:
celosin eFormula:
C36H54O12Smiles:
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C(=O)O)C2C1Aglycone:
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C(=O)O)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 678.82 | Num_heavy_atoms: | 48 |
| TPSA: | 211.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD49265
Formula: C30H46O6
Smiles:
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C(=O)O)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
