Glycoside
GD133436
Name:
NoneFormula:
C41H57O14N4S2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C2C(=O)OC3CCCC3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21Aglycone:
C=CC1C(O)OC=C2C(=O)OC3CCCC3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.63 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 894.05 | Num_heavy_atoms: | 61 |
| TPSA: | 274.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD54007
Formula: C32H41O8N4S2
Smiles:
C=CC1C(O)OC=C2C(=O)OC3CCCC3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 673.83 | Num_heavy_atoms: | 46 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
