Glycoside
...
GD029048

Name:
None

Formula:
C79H80O37N4

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](NCC(=O)OCc2ccc(NC(=O)OCc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)c([N+](=O)[O-])c3)c(COC(=O)N[C@@H]3C[C@H](O[C@@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)O[C@H](C)[C@H]3O)c2)[C@H](O)[C@H](C)O1

Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NCC(=O)OCc2ccc(NC(=O)OCc3ccc(O)c([N+](=O)[O-])c3)c(COC(=O)NC3CC(OC4CC(O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)OC(C)C3O)c2)C(O)C(C)O1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 13
HBD: 17 FractionCSP3: 0.42
AlogP: 0.59 Num_rotatable_bonds: 25
MolWt: 1677.5 Num_heavy_atoms: 120
TPSA: 634.68 NumAromaticRings: 6

Unique Aglycone
AD18935
Formula: C73H72O31N4

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NCC(=O)OCc2ccc(NC(=O)OCc3ccc(O)c([N+](=O)[O-])c3)c(COC(=O)NC3CC(OC4CC(O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)OC(C)C3O)c2)C(O)C(C)O1
HBA: 35 RingCount: 12
HBD: 14 FractionCSP3: 0.38
AlogP: 3.02 Num_rotatable_bonds: 22
MolWt: 1501.38 Num_heavy_atoms: 108
TPSA: 538.46 NumAromaticRings: 6

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O