Glycoside
...
GD013924

Name:
None

Formula:
C56H67O15N13S

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(SCc4ccc(-c5ccccc5)cc4)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(SCc4ccc(-c5ccccc5)cc4)oc3c2)NC1=O

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

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 18 FractionCSP3: 0.41
AlogP: -4.51 Num_rotatable_bonds: 15
MolWt: 1194.3 Num_heavy_atoms: 85
TPSA: 443.5 NumAromaticRings: 5

Unique Aglycone
AD10320
Formula: C50H57O10N13S

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(SCc4ccc(-c5ccccc5)cc4)oc3c2)NC1=O
HBA: 23 RingCount: 8
HBD: 15 FractionCSP3: 0.34
AlogP: -2.03 Num_rotatable_bonds: 13
MolWt: 1032.15 Num_heavy_atoms: 74
TPSA: 362.14 NumAromaticRings: 5

Sugarmoiety
SD00003

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