Glycoside
...
GD014753

Name:
None

Formula:
C90H113O21N11Cl6S3

Smiles:
CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)CCC(CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)(CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)NC(=O)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c2)C1

Aglycone:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)CCC(CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)(CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)NC(=O)N(C)C)c2)C1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 32 RingCount: 9
HBD: 12 FractionCSP3: 0.52
AlogP: 6.18 Num_rotatable_bonds: 52
MolWt: 1921.8 Num_heavy_atoms: 125
TPSA: 424.4 NumAromaticRings: 6

Unique Aglycone
AD10809
Formula: C85H103O16N11Cl6S3

Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)CCC(CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)(CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)NC(=O)N(C)C)c2)C1
HBA: 27 RingCount: 9
HBD: 7 FractionCSP3: 0.49
AlogP: 9.37 Num_rotatable_bonds: 46
MolWt: 1771.67 Num_heavy_atoms: 115
TPSA: 323.25 NumAromaticRings: 6

Sugarmoiety
SD00084

OCC(O)C(O)C(O)C(O)O