Glycoside
...
GD030833

Name:
None

Formula:
C52H87O17N9S

Smiles:
CSCC[C@H](NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](C(=O)O)C(C)C

Aglycone:
CSCCC(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(=O)NC(C(=O)O)C(C)C

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

Other Identifiers

Properties
HBA: 26 RingCount: 2
HBD: 16 FractionCSP3: 0.71
AlogP: -2.37 Num_rotatable_bonds: 33
MolWt: 1142.38 Num_heavy_atoms: 79
TPSA: 415.73 NumAromaticRings: 1

Unique Aglycone
AD19938
Formula: C46H77O12N9S

Smiles:
CSCCC(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(=O)NC(C(=O)O)C(C)C
HBA: 21 RingCount: 1
HBD: 13 FractionCSP3: 0.67
AlogP: -0.2 Num_rotatable_bonds: 30
MolWt: 980.24 Num_heavy_atoms: 68
TPSA: 336.58 NumAromaticRings: 1

Sugarmoiety
SD00003

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