Glycoside
...
GD010926

Name:
None

Formula:
C50H61O17N13

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(-c4ccc(C(=O)O)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(-c4ccc(C(=O)O)cc4)oc3c2)NC1=O

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

Other Identifiers

Properties
HBA: 30 RingCount: 8
HBD: 19 FractionCSP3: 0.44
AlogP: -7.11 Num_rotatable_bonds: 13
MolWt: 1116.11 Num_heavy_atoms: 80
TPSA: 480.8 NumAromaticRings: 4

Unique Aglycone
AD08383
Formula: C44H51O12N13

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(-c4ccc(C(=O)O)cc4)oc3c2)NC1=O
HBA: 25 RingCount: 7
HBD: 16 FractionCSP3: 0.36
AlogP: -4.62 Num_rotatable_bonds: 11
MolWt: 953.97 Num_heavy_atoms: 69
TPSA: 399.44 NumAromaticRings: 4

Sugarmoiety
SD00003

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