Glycoside
...
GD024937

Name:
None

Formula:
C81H82O25N10F2Cl2

Smiles:
CC(C)C[C@H](Nc1ccc(F)cc1)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)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@@](C)(Nc3ccc(F)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC(C)CC(Nc1ccc(F)cc1)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O.CC1OC(O)CC(C)(Nc2ccc(F)cc2)C1O

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

Other Identifiers

Properties
HBA: 35 RingCount: 14
HBD: 21 FractionCSP3: 0.35
AlogP: 3.55 Num_rotatable_bonds: 18
MolWt: 1680.47 Num_heavy_atoms: 118
TPSA: 545.6 NumAromaticRings: 7

Unique Aglycone
AD02999
Formula: C13H18O3NF

Smiles:
CC1OC(O)CC(C)(Nc2ccc(F)cc2)C1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.54
AlogP: 1.48 Num_rotatable_bonds: 2
MolWt: 255.29 Num_heavy_atoms: 18
TPSA: 61.72 NumAromaticRings: 1
AD16589
Formula: C62H56O18N9FCl2

Smiles:
CC(C)CC(Nc1ccc(F)cc1)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 27 RingCount: 11
HBD: 17 FractionCSP3: 0.25
AlogP: 3.54 Num_rotatable_bonds: 11
MolWt: 1281.06 Num_heavy_atoms: 90
TPSA: 435.96 NumAromaticRings: 6

Sugarmoiety
SD00003

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