Glycoside
...
GD029003

Name:
None

Formula:
C38H45O11N4FCl2

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(NC(=O)CNC(=O)CNC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)cc2)[C@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCC(=O)NCC(=O)Nc1ccc(O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(F)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: 3.03 Num_rotatable_bonds: 20
MolWt: 799.68 Num_heavy_atoms: 54
TPSA: 187.9 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD18904
Formula: C26H30O4N4Cl2

Smiles:
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCC(=O)NCC(=O)Nc1ccc(O)cc1
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.38
AlogP: 2.87 Num_rotatable_bonds: 14
MolWt: 509.43 Num_heavy_atoms: 34
TPSA: 110.77 NumAromaticRings: 2

Sugarmoiety
SD00332

CC(=O)OC1C(O)OC(O)C(F)C1OC(C)=O