Glycoside
GD142971
Name:
NoneFormula:
C43H59O15N4S4Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C5C#CC(=CC6=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C6)C4CO)C3C2C=CCSS5)OC(CO)C(O)C1(O)OAglycone:
[NH2+]=C(NCCCO)NC1=C2C=C3C#CC4SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.65 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 12 |
| MolWt: | 1000.23 | Num_heavy_atoms: | 66 |
| TPSA: | 295.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD54479
Formula: C34H43O9N4S4
Smiles:
[NH2+]=C(NCCCO)NC1=C2C=C3C#CC4SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 780.01 | Num_heavy_atoms: | 51 |
| TPSA: | 206.64 | NumAromaticRings: | 0 |
