Glycoside
GD137428
Name:
NoneFormula:
C30H32O14SSmiles:
CC12CC3(S(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1OAglycone:
CC12CC3(S(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O.COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.64 | Num_heavy_atoms: | 45 |
| TPSA: | 204.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD51817
Formula: C17H18O8S
Smiles:
CC12CC3(S(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.39 | Num_heavy_atoms: | 26 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
