Glycoside
...
GD023727

Name:
None

Formula:
C54H64O14N6Cl4S2

Smiles:
CN(C)[C@@H]1Cc2c(Cl)cc(Cl)cc2[C@H]1Oc1ccc(S(=O)(=O)NCCOCCOCCNC(=O)[C@@H](O)[C@@H](O)C(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3c4cc(Cl)cc(Cl)c4C[C@H]3N(C)C)cc2)cc1

Aglycone:
CN(C)C1Cc2c(Cl)cc(Cl)cc2C1Oc1ccc(S(=O)(=O)NCCOCCOCCN)cc1.CN(C)C1Cc2c(Cl)cc(Cl)cc2C1Oc1ccc(S(=O)(=O)NCCOCCOCCN)cc1

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 6 FractionCSP3: 0.48
AlogP: 3.79 Num_rotatable_bonds: 31
MolWt: 1179.04 Num_heavy_atoms: 76
TPSA: 252.86 NumAromaticRings: 4

Unique Aglycone
AD15933
Formula: C25H31O5N3Cl2S

Smiles:
CN(C)C1Cc2c(Cl)cc(Cl)cc2C1Oc1ccc(S(=O)(=O)NCCOCCOCCN)cc1
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.48
AlogP: 2.87 Num_rotatable_bonds: 13
MolWt: 532.49 Num_heavy_atoms: 34
TPSA: 103.12 NumAromaticRings: 2

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O