Glycoside
...
GD022041

Name:
None

Formula:
C50H63O15N13S

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(SCc4ccccc4)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(SCc4ccccc4)oc3c2)NC1=O

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

Other Identifiers

Properties
HBA: 28 RingCount: 8
HBD: 18 FractionCSP3: 0.46
AlogP: -6.18 Num_rotatable_bonds: 14
MolWt: 1118.2 Num_heavy_atoms: 79
TPSA: 443.5 NumAromaticRings: 4

Unique Aglycone
AD14986
Formula: C44H53O10N13S

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(SCc4ccccc4)oc3c2)NC1=O
HBA: 23 RingCount: 7
HBD: 15 FractionCSP3: 0.39
AlogP: -3.69 Num_rotatable_bonds: 12
MolWt: 956.06 Num_heavy_atoms: 68
TPSA: 362.14 NumAromaticRings: 4

Sugarmoiety
SD00003

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