Glycoside
...
GD036540

Name:
None

Formula:
C55H82O17N16S

Smiles:
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)N[C@H](Cc4cn(C[C@@H]5O[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CN)[C@H](O)[C@H](O)[C@H]7N)[C@@H](N)C[C@@H](N)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CN)[C@H](O)[C@H](O)[C@H]5N)nn4)C(=O)N[C@H](CCCCN)C(N)=O)c3)cs2)cc1

Aglycone:
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)NC(Cc4cn(C)nn4)C(=O)NC(CCCCN)C(N)=O)c3)cs2)cc1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 8
HBD: 26 FractionCSP3: 0.6
AlogP: -6.37 Num_rotatable_bonds: 27
MolWt: 1271.42 Num_heavy_atoms: 89
TPSA: 561.99 NumAromaticRings: 4

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD23034
Formula: C33H40O5N10S

Smiles:
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)NC(Cc4cn(C)nn4)C(=O)NC(CCCCN)C(N)=O)c3)cs2)cc1
HBA: 15 RingCount: 4
HBD: 8 FractionCSP3: 0.33
AlogP: 2.04 Num_rotatable_bonds: 17
MolWt: 688.81 Num_heavy_atoms: 49
TPSA: 229.11 NumAromaticRings: 4

Sugarmoiety
SD00021

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O