Glycoside
...
GD037259

Name:
None

Formula:
C90H102O27N10Cl2

Smiles:
C#CCOCCOCCOCc1cn([C@H](CC(C)C)C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3C[C@@](C)(NCCCCCCCc5ccccc5)[C@H](O)[C@H](C)O3)Oc3ccc(cc3Cl)[C@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@H](CC(=O)O)NC2=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@H](C(=O)O)NC3=O)nn1

Aglycone:
C#CCOCCOCCOCc1cn(C(CC(C)C)C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)O)NC2=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC3=O)nn1.CC1OC(O)CC(C)(NCCCCCCCc2ccccc2)C1O

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

Other Identifiers

Properties
HBA: 37 RingCount: 14
HBD: 17 FractionCSP3: 0.45
AlogP: 5.47 Num_rotatable_bonds: 31
MolWt: 1802.73 Num_heavy_atoms: 127
TPSA: 536.85 NumAromaticRings: 7

Unique Aglycone
AD21080
Formula: C20H33O3N

Smiles:
CC1OC(O)CC(C)(NCCCCCCCc2ccccc2)C1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.7
AlogP: 3.02 Num_rotatable_bonds: 9
MolWt: 335.49 Num_heavy_atoms: 24
TPSA: 61.72 NumAromaticRings: 1
AD23483
Formula: C64H61O20N9Cl2

Smiles:
C#CCOCCOCCOCc1cn(C(CC(C)C)C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)O)NC2=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC3=O)nn1
HBA: 29 RingCount: 11
HBD: 13 FractionCSP3: 0.32
AlogP: 3.93 Num_rotatable_bonds: 17
MolWt: 1323.12 Num_heavy_atoms: 93
TPSA: 427.21 NumAromaticRings: 6

Sugarmoiety
SD00003

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