Glycoside
...
GD019898

Name:
None

Formula:
C84H86O24N9Cl3

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: 4.76 Num_rotatable_bonds: 18
MolWt: 1675.98 Num_heavy_atoms: 117
TPSA: 516.5 NumAromaticRings: 7

Unique Aglycone
AD13815
Formula: C78H76O19N9Cl3

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: 7.29 Num_rotatable_bonds: 15
MolWt: 1513.84 Num_heavy_atoms: 106
TPSA: 437.35 NumAromaticRings: 7

Sugarmoiety
SD00003

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