Glycoside
...
GD028205

Name:
None

Formula:
C50H88O21N10

Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C

Aglycone:
CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 2
HBD: 18 FractionCSP3: 0.8
AlogP: -6.85 Num_rotatable_bonds: 29
MolWt: 1165.3 Num_heavy_atoms: 81
TPSA: 483.52 NumAromaticRings: 0

Unique Aglycone
AD18463
Formula: C36H65O11N9

Smiles:
CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O
HBA: 20 RingCount: 0
HBD: 12 FractionCSP3: 0.75
AlogP: -2.64 Num_rotatable_bonds: 22
MolWt: 799.97 Num_heavy_atoms: 56
TPSA: 316.35 NumAromaticRings: 0

Sugarmoiety
SD00222

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O