Glycoside
GD138837
Name:
NoneFormula:
C53H76O15N7S2Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C5C#CC(=CC6=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C6)C4CO)C3C2(C=C2CCCC2)CCC2CC(C5)NC(=N)N2)OC(CO)C(O)C1(O)OAglycone:
N=C1NC2CCC3(C=C4CCCC4)C(O)OC=C4C(=O)OC5CCC(CO)C5CSSC5C(C#CC(=CC6=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C6)C5CO)C43)CC(C2)N1Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.7 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 1115.36 | Num_heavy_atoms: | 77 |
| TPSA: | 342.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD56014
Formula: C44H60O9N7S2
Smiles:
N=C1NC2CCC3(C=C4CCCC4)C(O)OC=C4C(=O)OC5CCC(CO)C5CSSC5C(C#CC(=CC6=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C6)C5CO)C43)CC(C2)N1| HBA: | 16 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.64 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 895.14 | Num_heavy_atoms: | 62 |
| TPSA: | 254.55 | NumAromaticRings: | 0 |
