Glycoside
GD155096
Name:
NoneFormula:
C40H56O14N5S2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)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:
CNCOC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 895.04 | Num_heavy_atoms: | 61 |
| TPSA: | 286.82 | 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 |
