Glycoside
...
GD132037

Name:
None

Formula:
C68H101O36NCl2

Smiles:
COCC1OC(OC2OCC3OC4(OCC(O)(C(C)OC)C5OCOC54)OC3C2OC)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2OC(C)C3OC4(CC(O)C(OC5CC(OC6CC(C)([NH+]([O-])O)C(OC)C(C)O6)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3(C)C2O)C1O

Aglycone:
CC1OC2(CC(O)C1O)OC1C(C)OC(O)C(O)C1(C)O2.COC1C(C)OC(O)CC1(C)[NH+]([O-])O.COC1C(O)OCC2OC3(OCC(O)(C(C)OC)C4OCOC43)OC21.COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O

Sugarmoiety:
CC1OC(O)CC(O)C1O.COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 12
HBD: 8 FractionCSP3: 0.89
AlogP: -0.77 Num_rotatable_bonds: 22
MolWt: 1555.41 Num_heavy_atoms: 105
TPSA: 435.39 NumAromaticRings: 1

Unique Aglycone
AD01374
Formula: C13H22O8

Smiles:
CC1OC2(CC(O)C1O)OC1C(C)OC(O)C(O)C1(C)O2
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 1.0
AlogP: -1.56 Num_rotatable_bonds: 0
MolWt: 306.31 Num_heavy_atoms: 21
TPSA: 117.84 NumAromaticRings: 0
AD01435
Formula: C11H8O4Cl2

Smiles:
COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 2.71 Num_rotatable_bonds: 2
MolWt: 251.06 Num_heavy_atoms: 15
TPSA: 66.76 NumAromaticRings: 1
AD03352
Formula: C15H24O10

Smiles:
COC1C(O)OCC2OC3(OCC(O)(C(C)OC)C4OCOC43)OC21
HBA: 10 RingCount: 4
HBD: 2 FractionCSP3: 1.0
AlogP: -1.67 Num_rotatable_bonds: 3
MolWt: 364.35 Num_heavy_atoms: 25
TPSA: 114.3 NumAromaticRings: 0
AD49644
Formula: C8H17O5N

Smiles:
COC1C(C)OC(O)CC1(C)[NH+]([O-])O
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -1.34 Num_rotatable_bonds: 2
MolWt: 207.23 Num_heavy_atoms: 14
TPSA: 86.42 NumAromaticRings: 0

Sugarmoiety
SD00768

CC1OC(O)CC(O)C1O.COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1O