Glycoside
GD098891
Name:
NoneFormula:
C20H31O7N3S2Smiles:
C[C@@H]1O[C@@H](OCCNC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(c1ccc(NC(=S)NCCO)cc1)N1CCCCC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.62 | Num_heavy_atoms: | 32 |
| TPSA: | 140.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD42071
Formula: C14H21O3N3S2
Smiles:
O=S(=O)(c1ccc(NC(=S)NCCO)cc1)N1CCCCC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.47 | Num_heavy_atoms: | 22 |
| TPSA: | 81.67 | NumAromaticRings: | 1 |
