Glycoside
GD121175
Name:
NoneFormula:
C50H70O15N7S4Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CO)N5C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=C6C#CC47CC4CC(CCC2(C=CCSS7)C63)NC(=N)N4)C5)OC(CO)C(O)C1(O)OAglycone:
N=C1NC2CCC34C=CCSSC5(C#CC6=CC7=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C7)C(CO)C5SSCC5C(CO)CCC5OC(=O)C(=COC3O)C64)CC(C2)N1Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.68 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 12 |
| MolWt: | 1137.41 | Num_heavy_atoms: | 76 |
| TPSA: | 342.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD48748
Formula: C41H54O9N7S4
Smiles:
N=C1NC2CCC34C=CCSSC5(C#CC6=CC7=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C7)C(CO)C5SSCC5C(CO)CCC5OC(=O)C(=COC3O)C64)CC(C2)N1| HBA: | 16 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.61 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 917.19 | Num_heavy_atoms: | 61 |
| TPSA: | 254.55 | NumAromaticRings: | 0 |
