Glycoside
...
GD005954

Name:
None

Formula:
C56H67O16N13

Smiles:
Cc1ccc(Oc2ccc(-c3nc4ccc(C[C@@H]5NC(=O)[C@H]([C@H](C)c6ccccc6)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]6CN=C(N)N6[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)NC(=O)[C@H]([C@H](O)[C@@H]6CN=C(N)N6)NC5=O)cc4o3)cc2)cc1

Aglycone:
Cc1ccc(Oc2ccc(-c3nc4ccc(CC5NC(=O)C(C(C)c6ccccc6)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C6CN=C(N)N6)NC(=O)C(C(O)C6CN=C(N)N6)NC5=O)cc4o3)cc2)cc1

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

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 18 FractionCSP3: 0.41
AlogP: -4.71 Num_rotatable_bonds: 14
MolWt: 1178.23 Num_heavy_atoms: 85
TPSA: 452.73 NumAromaticRings: 5

Unique Aglycone
AD04975
Formula: C50H57O11N13

Smiles:
Cc1ccc(Oc2ccc(-c3nc4ccc(CC5NC(=O)C(C(C)c6ccccc6)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C6CN=C(N)N6)NC(=O)C(C(O)C6CN=C(N)N6)NC5=O)cc4o3)cc2)cc1
HBA: 24 RingCount: 8
HBD: 15 FractionCSP3: 0.34
AlogP: -2.22 Num_rotatable_bonds: 12
MolWt: 1016.09 Num_heavy_atoms: 74
TPSA: 371.37 NumAromaticRings: 5

Sugarmoiety
SD00003

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