Glycoside
GD017961
Name:
NoneFormula:
C104H156O36N12Smiles:
CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)C2Aglycone:
CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 48 | RingCount: | 13 |
| HBD: | 16 | FractionCSP3: | 0.69 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 56 |
| MolWt: | 2150.44 | Num_heavy_atoms: | 152 |
| TPSA: | 631.12 | NumAromaticRings: | 8 |
Unique Aglycone
AD12755
Formula: C80H116O16N12
Smiles:
CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)C2| HBA: | 28 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 8.34 | Num_rotatable_bonds: | 44 |
| MolWt: | 1501.88 | Num_heavy_atoms: | 108 |
| TPSA: | 314.52 | NumAromaticRings: | 8 |
Sugarmoiety
SD00109
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O