Glycoside
...
GD018941

Name:
None

Formula:
C43H53O18N5

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](NC(=O)CCCc2cn(CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)[C@H](O)[C@H](C)O1

Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CCCc2cn(CCO)nn2)C(O)C(C)O1

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

Other Identifiers

Properties
HBA: 23 RingCount: 7
HBD: 10 FractionCSP3: 0.56
AlogP: -2.27 Num_rotatable_bonds: 16
MolWt: 927.91 Num_heavy_atoms: 66
TPSA: 348.11 NumAromaticRings: 3

Unique Aglycone
AD13273
Formula: C35H40O13N4

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CCCc2cn(CCO)nn2)C(O)C(C)O1
HBA: 17 RingCount: 6
HBD: 7 FractionCSP3: 0.49
AlogP: -0.23 Num_rotatable_bonds: 12
MolWt: 724.72 Num_heavy_atoms: 52
TPSA: 260.09 NumAromaticRings: 3

Sugarmoiety
SD00014

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