Glycoside
...
GD027652

Name:
None

Formula:
C50H52O16N2

Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3cc(NC(=O)c4cccc(-c5cccc(C(=O)Nc6cc7ccc(O[C@@H]8OC(C)(C)[C@H](OC)[C@H](O)[C@H]8O)c(C)c7oc6=O)c5)c4)c(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2cc(NC(=O)c3cccc(-c4cccc(C(=O)Nc5cc6ccc(O)c(C)c6oc5=O)c4)c3)c(=O)oc12

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 6 FractionCSP3: 0.36
AlogP: 5.19 Num_rotatable_bonds: 11
MolWt: 936.96 Num_heavy_atoms: 68
TPSA: 254.92 NumAromaticRings: 6

Unique Aglycone
AD18144
Formula: C34H24O8N2

Smiles:
Cc1c(O)ccc2cc(NC(=O)c3cccc(-c4cccc(C(=O)Nc5cc6ccc(O)c(C)c6oc5=O)c4)c3)c(=O)oc12
HBA: 10 RingCount: 6
HBD: 4 FractionCSP3: 0.06
AlogP: 6.1 Num_rotatable_bonds: 5
MolWt: 588.57 Num_heavy_atoms: 44
TPSA: 159.08 NumAromaticRings: 6

Sugarmoiety
SD00171

COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)C