Glycoside
...
GD032185

Name:
None

Formula:
C91H95O24N12Cl3

Smiles:
CN[C@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]2C(=O)N[C@@H]3C(=O)NC(C(=O)N[C@H](C(=O)O)c4cc(O)c(CN5CCc6cncn6C5)c(O)c4-c4cc3ccc4O)[C@H](OC3C[C@@](C)(NCc4cccc(C=Cc5ccc(Cl)cc5)c4)[C@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CN5CCc6cncn6C5)c(O)c4-c4cc3ccc4O)C(OC3CC(C)(NCc4cccc(C=Cc5ccc(Cl)cc5)c4)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

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

Other Identifiers

Properties
HBA: 36 RingCount: 16
HBD: 20 FractionCSP3: 0.38
AlogP: 4.97 Num_rotatable_bonds: 20
MolWt: 1811.15 Num_heavy_atoms: 127
TPSA: 537.56 NumAromaticRings: 8

Unique Aglycone
AD20663
Formula: C85H85O19N12Cl3

Smiles:
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CN5CCc6cncn6C5)c(O)c4-c4cc3ccc4O)C(OC3CC(C)(NCc4cccc(C=Cc5ccc(Cl)cc5)c4)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 31 RingCount: 15
HBD: 17 FractionCSP3: 0.33
AlogP: 7.5 Num_rotatable_bonds: 17
MolWt: 1649.01 Num_heavy_atoms: 116
TPSA: 458.41 NumAromaticRings: 8

Sugarmoiety
SD00003

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