Glycoside
GD138706
Name:
NoneFormula:
C34H55O13NSSmiles:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)C=C3C(O)CC12O)C(C)C(O)=NCS(=O)(=O)OAglycone:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)C(O)=NCS(=O)(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 717.88 | Num_heavy_atoms: | 49 |
| TPSA: | 247.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD55960
Formula: C29H47O9NS
Smiles:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)C(O)=NCS(=O)(=O)O| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 585.76 | Num_heavy_atoms: | 40 |
| TPSA: | 188.11 | NumAromaticRings: | 0 |
