Glycoside
...
GD019977

Name:
None

Formula:
C42H58O15N12

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](Cc2ccc(O)cc2)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(Cc2ccc(O)cc2)NC1=O

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

Other Identifiers

Properties
HBA: 27 RingCount: 6
HBD: 19 FractionCSP3: 0.52
AlogP: -8.91 Num_rotatable_bonds: 11
MolWt: 971.0 Num_heavy_atoms: 69
TPSA: 437.7 NumAromaticRings: 2

Unique Aglycone
AD00272
Formula: C36H48O10N12

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(Cc2ccc(O)cc2)NC1=O
HBA: 22 RingCount: 5
HBD: 16 FractionCSP3: 0.44
AlogP: -6.42 Num_rotatable_bonds: 9
MolWt: 808.85 Num_heavy_atoms: 58
TPSA: 356.34 NumAromaticRings: 2

Sugarmoiety
SD00003

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