Glycoside
GD003635
Name:
NoneFormula:
C35H59O12NSSmiles:
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)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 717.92 | Num_heavy_atoms: | 49 |
| TPSA: | 223.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD03280
Formula: C30H51O8NS
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: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 585.8 | Num_heavy_atoms: | 40 |
| TPSA: | 164.39 | NumAromaticRings: | 0 |
