Glycoside
...
GD000941

Name:
None

Formula:
C49H86O13N4

Smiles:
CCc1ccc(NC(=O)NCCCN2C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H](C)[C@H](O[C@@H]3C[C@@](C)(OC)[C@H](O)[C@H](C)O3)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]2C)cc1

Aglycone:
CCc1ccc(NC(=O)NCCCN2CC(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C2C)cc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 7 FractionCSP3: 0.84
AlogP: 4.05 Num_rotatable_bonds: 13
MolWt: 939.24 Num_heavy_atoms: 66
TPSA: 221.21 NumAromaticRings: 1

Unique Aglycone
AD00982
Formula: C41H72O10N4

Smiles:
CCc1ccc(NC(=O)NCCCN2CC(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C2C)cc1
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.8
AlogP: 3.12 Num_rotatable_bonds: 10
MolWt: 781.05 Num_heavy_atoms: 55
TPSA: 193.52 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O