Glycoside
GD001233
Name:
MINUTOSIDE BFormula:
C35H58O12NSSmiles:
C[C@@H](C=C[C@@H](C)[C@H](C)C(=O)NCCS(=O)(=O)[O-])[C@@H]1C[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1[C@@]2(O)C[C@H](O)[C@@H]2C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]21CAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)C(=O)NCCS(=O)(=O)[O-]Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 716.91 | Num_heavy_atoms: | 49 |
| TPSA: | 226.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01275
Formula: C30H50O8NS
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)C(=O)NCCS(=O)(=O)[O-]| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.8 | Num_heavy_atoms: | 40 |
| TPSA: | 167.22 | NumAromaticRings: | 0 |
