Glycoside
...
GD034783

Name:
None

Formula:
C36H42O7N6Cl2S2

Smiles:
Cn1c(C(=O)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cnc1SCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

Aglycone:
CNC(=O)c1cnc(SCc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)n1C

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 6 FractionCSP3: 0.5
AlogP: 2.08 Num_rotatable_bonds: 14
MolWt: 781.78 Num_heavy_atoms: 51
TPSA: 174.86 NumAromaticRings: 3

Unique Aglycone
AD22073
Formula: C31H32O2N6Cl2S2

Smiles:
CNC(=O)c1cnc(SCc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)n1C
HBA: 8 RingCount: 6
HBD: 1 FractionCSP3: 0.41
AlogP: 5.27 Num_rotatable_bonds: 8
MolWt: 631.66 Num_heavy_atoms: 41
TPSA: 73.71 NumAromaticRings: 3

Sugarmoiety
SD00084

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