Glycoside
...
GD147074

Name:
None

Formula:
C59H96O28S

Smiles:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(O)C(OS(=O)(=O)O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6OC6CCC(O)C(O)C6O)CCC45C)C2(C)CCC13

Aglycone:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13.O=S(=O)(O)O.OC1CCC(O)C(O)C1O

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 14 FractionCSP3: 0.95
AlogP: -1.89 Num_rotatable_bonds: 18
MolWt: 1285.46 Num_heavy_atoms: 88
TPSA: 435.96 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD20003
Formula: C30H48O4

Smiles:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.05 Num_rotatable_bonds: 4
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 66.76 NumAromaticRings: 0
AD47477
Formula: C6H12O4

Smiles:
OC1CCC(O)C(O)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.78 Num_rotatable_bonds: 0
MolWt: 148.16 Num_heavy_atoms: 10
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD09404

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O