Glycoside
...
GD035523

Name:
None

Formula:
C92H101O28N13Cl2

Smiles:
CCCCCCCCCCOCc1cn(CCOCCOCCOCCOCc2cn([C@@H]3C(=O)N[C@@H]4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H]5NC(=O)[C@H](NC(O)[C@H]6NC(=O)[C@H](NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3[C@H](C(=O)O)NC5=O)nn2)nn1

Aglycone:
CCCCCCCCCCOCc1cn(CCOCCOCCOCCOCc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)nn1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 16
HBD: 18 FractionCSP3: 0.41
AlogP: 6.44 Num_rotatable_bonds: 31
MolWt: 1883.77 Num_heavy_atoms: 133
TPSA: 579.95 NumAromaticRings: 9

Unique Aglycone
AD22468
Formula: C84H88O23N12Cl2

Smiles:
CCCCCCCCCCOCc1cn(CCOCCOCCOCCOCc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)nn1
HBA: 35 RingCount: 15
HBD: 15 FractionCSP3: 0.37
AlogP: 8.47 Num_rotatable_bonds: 27
MolWt: 1680.57 Num_heavy_atoms: 119
TPSA: 491.93 NumAromaticRings: 9

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O