Glycoside

GD100870
Name:
NoneFormula:
C19H24O8N2S2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](CC(=O)O)Sc2nc3ccccc3s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(O)CC(Sc1nc2ccccc2s1)C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.53 |
AlogP: | 0.19 | Num_rotatable_bonds: | 9 |
MolWt: | 472.54 | Num_heavy_atoms: | 31 |
TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD42617
Formula: C13H14O4N2S2
Smiles:
O=C(O)CC(Sc1nc2ccccc2s1)C(=O)NCCOHBA: | 6 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.31 |
AlogP: | 1.34 | Num_rotatable_bonds: | 7 |
MolWt: | 326.4 | Num_heavy_atoms: | 21 |
TPSA: | 99.52 | NumAromaticRings: | 2 |