Glycoside
...
GD139405

Name:
18',19'-dihydroxy-5,7',9',13'-tetramethyl-15'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-yl benzoate

Formula:
C40H58O12

Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC(=O)c6ccccc6)C(OC6OC(CO)C(O)C(O)C6O)CC5(C)C4CCC3(C)C1C2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC(=O)c6ccccc6)C(O)CC5(C)C4CCC3(C)C1C2C

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

Other Identifiers

Properties
HBA: 12 RingCount: 8
HBD: 6 FractionCSP3: 0.82
AlogP: 2.54 Num_rotatable_bonds: 5
MolWt: 730.89 Num_heavy_atoms: 52
TPSA: 184.6 NumAromaticRings: 1

Unique Aglycone
AD56209
Formula: C34H48O7

Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC(=O)c6ccccc6)C(O)CC5(C)C4CCC3(C)C1C2C
HBA: 7 RingCount: 7
HBD: 3 FractionCSP3: 0.79
AlogP: 4.72 Num_rotatable_bonds: 2
MolWt: 568.75 Num_heavy_atoms: 41
TPSA: 105.45 NumAromaticRings: 1

Sugarmoiety
SD00003

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