Glycoside
GD004432
Name:
NoneFormula:
C22H28O11N2SSmiles:
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@H]1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)SC(C(NC(=O)Cc2ccccc2)C(=O)O)NC1C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.54 | Num_heavy_atoms: | 36 |
| TPSA: | 211.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD03872
Formula: C16H20O5N2S
Smiles:
CC1(C)SC(C(NC(=O)Cc2ccccc2)C(=O)O)NC1C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 352.41 | Num_heavy_atoms: | 24 |
| TPSA: | 115.73 | NumAromaticRings: | 1 |
