Glycoside
...
GD029846

Name:
None

Formula:
C52H67O18N13

Smiles:
COc1cc(-c2nc3ccc(C[C@@H]4NC(=O)[C@H]([C@H](C)c5ccccc5)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]5CN=C(N)N5[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)NC(=O)[C@H]([C@H](O)[C@@H]5CN=C(N)N5)NC4=O)cc3o2)cc(OC)c1OC

Aglycone:
COc1cc(-c2nc3ccc(CC4NC(=O)C(C(C)c5ccccc5)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C5CN=C(N)N5)NC(=O)C(C(O)C5CN=C(N)N5)NC4=O)cc3o2)cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 31 RingCount: 8
HBD: 18 FractionCSP3: 0.48
AlogP: -6.78 Num_rotatable_bonds: 15
MolWt: 1162.18 Num_heavy_atoms: 83
TPSA: 471.19 NumAromaticRings: 4

Unique Aglycone
AD19364
Formula: C46H57O13N13

Smiles:
COc1cc(-c2nc3ccc(CC4NC(=O)C(C(C)c5ccccc5)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C5CN=C(N)N5)NC(=O)C(C(O)C5CN=C(N)N5)NC4=O)cc3o2)cc(OC)c1OC
HBA: 26 RingCount: 7
HBD: 15 FractionCSP3: 0.41
AlogP: -4.29 Num_rotatable_bonds: 13
MolWt: 1000.04 Num_heavy_atoms: 72
TPSA: 389.83 NumAromaticRings: 4

Sugarmoiety
SD00003

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