Glycoside
...
GD001438

Name:
None

Formula:
C49H65O16N9

Smiles:
C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(N)=O)C(C)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 16 FractionCSP3: 0.47
AlogP: -4.67 Num_rotatable_bonds: 24
MolWt: 1036.11 Num_heavy_atoms: 74
TPSA: 403.86 NumAromaticRings: 3

Unique Aglycone
AD01446
Formula: C43H55O11N9

Smiles:
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(N)=O)C(C)O
HBA: 20 RingCount: 4
HBD: 13 FractionCSP3: 0.4
AlogP: -2.5 Num_rotatable_bonds: 21
MolWt: 873.96 Num_heavy_atoms: 63
TPSA: 324.71 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O