Glycoside
...
GD012909

Name:
None

Formula:
C92H102O26N11Cl3

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(CNCCCCC[C@H](N)C(=O)O)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(CNCCCCCC(N)C(=O)O)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: 37 RingCount: 14
HBD: 24 FractionCSP3: 0.4
AlogP: 4.82 Num_rotatable_bonds: 27
MolWt: 1848.2 Num_heavy_atoms: 129
TPSA: 591.85 NumAromaticRings: 7

Unique Aglycone
AD09691
Formula: C86H92O21N11Cl3

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(CNCCCCCC(N)C(=O)O)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: 32 RingCount: 13
HBD: 21 FractionCSP3: 0.36
AlogP: 7.35 Num_rotatable_bonds: 24
MolWt: 1686.06 Num_heavy_atoms: 118
TPSA: 512.7 NumAromaticRings: 7

Sugarmoiety
SD00003

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