Glycoside
...
GD027229

Name:
None

Formula:
C51H63O16N13S

Smiles:
C[C@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@H](Cc2ccc3nc(SCC(=O)c4ccccc4)oc3c2)NC1=O

Aglycone:
CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(SCC(=O)c4ccccc4)oc3c2)NC1=O

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

Other Identifiers

Properties
HBA: 29 RingCount: 8
HBD: 18 FractionCSP3: 0.45
AlogP: -6.5 Num_rotatable_bonds: 15
MolWt: 1146.21 Num_heavy_atoms: 81
TPSA: 460.57 NumAromaticRings: 4

Unique Aglycone
AD17917
Formula: C45H53O11N13S

Smiles:
CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(SCC(=O)c4ccccc4)oc3c2)NC1=O
HBA: 24 RingCount: 7
HBD: 15 FractionCSP3: 0.38
AlogP: -4.01 Num_rotatable_bonds: 13
MolWt: 984.07 Num_heavy_atoms: 70
TPSA: 379.21 NumAromaticRings: 4

Sugarmoiety
SD00003

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