Glycoside
GD141961
Name:
NoneFormula:
C40H65O13NSmiles:
CC(O)=NC1C(OC2CCC3(C(=O)O)C(=CC(O)C4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)OC(CO)C(O)C1OC1OC(CO)C(O)C1OAglycone:
CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C(=O)O)C3CCC12CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 767.95 | Num_heavy_atoms: | 54 |
| TPSA: | 228.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD46996
Formula: C27H44O4
Smiles:
CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C(=O)O)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
