Glycoside
GD151721
Name:
NoneFormula:
C42H63O16Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=[OH+])C4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=[OH+])C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 823.95 | Num_heavy_atoms: | 58 |
| TPSA: | 271.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD53946
Formula: C30H47O4
Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=[OH+])C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 471.7 | Num_heavy_atoms: | 34 |
| TPSA: | 78.93 | NumAromaticRings: | 0 |
