Glycoside
...
GD033696

Name:
None

Formula:
C36H42O8N6Cl2S

Smiles:
Cn1nc(C(=O)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1OCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

Aglycone:
CNC(=O)c1cc(OCc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)n(C)n1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.5
AlogP: 1.36 Num_rotatable_bonds: 14
MolWt: 765.72 Num_heavy_atoms: 51
TPSA: 184.09 NumAromaticRings: 3

Unique Aglycone
AD21488
Formula: C31H32O3N6Cl2S

Smiles:
CNC(=O)c1cc(OCc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)n(C)n1
HBA: 9 RingCount: 6
HBD: 1 FractionCSP3: 0.41
AlogP: 4.56 Num_rotatable_bonds: 8
MolWt: 615.59 Num_heavy_atoms: 41
TPSA: 82.94 NumAromaticRings: 3

Sugarmoiety
SD00084

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