Glycoside
GD116895
Name:
NoneFormula:
C32H56O12SSmiles:
CC(CCCC(C)C1CC(O)C2C3CC(O)C4(O)CC(OC5OCC(O)C(O)C5O)CCC4(C)C3CCC12C)COS(=O)(=O)OAglycone:
CC(CCCC(C)C1CC(O)C2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C)COS(=O)(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 664.86 | Num_heavy_atoms: | 45 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD46511
Formula: C27H48O8S
Smiles:
CC(CCCC(C)C1CC(O)C2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C)COS(=O)(=O)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
