Glycoside
...
GD016327

Name:
None

Formula:
C42H58O12N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](O)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC(=O)NCC=Cc2cnc3ccccc3c2)C[C@H](C)C(=O)[C@H](C)[C@@H]2NC(=O)O[C@@]12C

Aglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(=O)NCC=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C2NC(=O)OC12C

Sugarmoiety:
CN(C)C1CC(O)OC(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 4 FractionCSP3: 0.62
AlogP: 3.75 Num_rotatable_bonds: 8
MolWt: 810.94 Num_heavy_atoms: 58
TPSA: 212.15 NumAromaticRings: 2

Unique Aglycone
AD11774
Formula: C35H45O9N3

Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(=O)NCC=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C2NC(=O)OC12C
HBA: 12 RingCount: 4
HBD: 3 FractionCSP3: 0.54
AlogP: 4.37 Num_rotatable_bonds: 5
MolWt: 651.76 Num_heavy_atoms: 47
TPSA: 170.22 NumAromaticRings: 2

Sugarmoiety
SD00344

CN(C)C1CC(O)OC(O)C1O