Glycoside
GD015012
Name:
NoneFormula:
C44H82O12N4S6Smiles:
CCC[C@H]1C[C@@H](C(=O)NC([C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)[C@@H](C)SCCOCCSSCCOCCS[C@@H](C)C(NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N(C)C1Aglycone:
CCCC1CC(C(=O)NCC(C)SCCOCCSSCCOCCSC(C)CNC(=O)C2CC(CCC)CN2C)N(C)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1O.CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 29 |
| MolWt: | 1051.56 | Num_heavy_atoms: | 66 |
| TPSA: | 222.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD10976
Formula: C32H62O4N4S4
Smiles:
CCCC1CC(C(=O)NCC(C)SCCOCCSSCCOCCSC(C)CNC(=O)C2CC(CCC)CN2C)N(C)C1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 25 |
| MolWt: | 695.14 | Num_heavy_atoms: | 44 |
| TPSA: | 83.14 | NumAromaticRings: | 0 |
