Glycoside

GD036246
Name:
NoneFormula:
C27H32O8N4SSmiles:
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c3ccccc3)cc2)cs1Aglycone:
Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 8 | FractionCSP3: | 0.37 |
AlogP: | 0.69 | Num_rotatable_bonds: | 12 |
MolWt: | 572.64 | Num_heavy_atoms: | 40 |
TPSA: | 196.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD12995
Formula: C21H24O2N4S
Smiles:
Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1HBA: | 6 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.24 |
AlogP: | 2.77 | Num_rotatable_bonds: | 9 |
MolWt: | 396.52 | Num_heavy_atoms: | 28 |
TPSA: | 100.27 | NumAromaticRings: | 3 |