Glycoside
GD133125
Name:
NoneFormula:
C41H70O18SSmiles:
COC1C(OC2C=C3C(O)CC4(O)C(CCC5(C)C(C(C)CCC(CCOC6OC(C(O)CO)C(O)C6O)C(C)C)C(O)C(OS(=O)(=O)O)C54)C3(C)CC2)OCC(O)C1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12OSugarmoiety:
COC1C(O)OCC(O)C1O.OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 16 |
| MolWt: | 883.06 | Num_heavy_atoms: | 60 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD51510
Formula: C29H50O9S
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 574.78 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
