Glycoside
GD136867
Name:
NoneFormula:
C33H58O12SSmiles:
COC1C(CO)OC(OC(CCC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(OS(=O)(=O)O)CC23O)C(C)C)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)CC12OSugarmoiety:
COC1C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 678.88 | Num_heavy_atoms: | 46 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD52221
Formula: C27H48O8S
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)CC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
