Glycoside
GD008032
Name:
NoneFormula:
C33H52O9N4SSmiles:
CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NCCC1CCCCC1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 17 |
| MolWt: | 680.87 | Num_heavy_atoms: | 47 |
| TPSA: | 222.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD06465
Formula: C28H42O4N4S
Smiles:
CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NCCC1CCCCC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 12 |
| MolWt: | 530.74 | Num_heavy_atoms: | 37 |
| TPSA: | 121.02 | NumAromaticRings: | 2 |
