Glycoside
GD011238
Name:
NoneFormula:
C30H38O11N2SSmiles:
CO[C@@H]1O[C@H](CN([C@H](C(=O)O)C(C)C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=OAglycone:
CC(C)C(C(=O)O)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 634.7 | Num_heavy_atoms: | 44 |
| TPSA: | 174.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD07044
Formula: C18H21O4NS
Smiles:
CC(C)C(C(=O)O)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 347.44 | Num_heavy_atoms: | 24 |
| TPSA: | 74.68 | NumAromaticRings: | 2 |
