Glycoside
...
GD009355

Name:
None

Formula:
C84H84O24N9Cl3

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)NC3C(=O)NC(C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@@H]3C[C@@](C)(NCc4ccc(C#Cc5ccc(Cl)cc5)cc4)[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)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(NCc4ccc(C#Cc5ccc(Cl)cc5)cc4)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: 33 RingCount: 14
HBD: 20 FractionCSP3: 0.36
AlogP: 3.99 Num_rotatable_bonds: 16
MolWt: 1673.96 Num_heavy_atoms: 117
TPSA: 516.5 NumAromaticRings: 7

Unique Aglycone
AD07339
Formula: C78H74O19N9Cl3

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)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(NCc4ccc(C#Cc5ccc(Cl)cc5)cc4)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 28 RingCount: 13
HBD: 17 FractionCSP3: 0.31
AlogP: 6.52 Num_rotatable_bonds: 13
MolWt: 1511.82 Num_heavy_atoms: 106
TPSA: 437.35 NumAromaticRings: 7

Sugarmoiety
SD00003

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