Glycoside
...
GD139335

Name:
15-(acetyloxy)-4,14-dihydroxy-2,14,17-trimethyl-3-oxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2H-1,3-benzodioxole-5-carboxylate

Formula:
C35H46O16

Smiles:
CC(=O)OC1C(OC(=O)c2ccc3c(c2)OCO3)C2C3(C)C(=O)C(O)CCC3CC3OC(OC4OC(CO)C(O)C(O)C4O)CC(C1(C)O)C32C

Aglycone:
CC(=O)OC1C(OC(=O)c2ccc3c(c2)OCO3)C2C3(C)C(=O)C(O)CCC3CC3OC(O)CC(C1(C)O)C32C

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.74
AlogP: -0.44 Num_rotatable_bonds: 6
MolWt: 722.74 Num_heavy_atoms: 51
TPSA: 237.2 NumAromaticRings: 1

Unique Aglycone
AD56183
Formula: C29H36O11

Smiles:
CC(=O)OC1C(OC(=O)c2ccc3c(c2)OCO3)C2C3(C)C(=O)C(O)CCC3CC3OC(O)CC(C1(C)O)C32C
HBA: 11 RingCount: 6
HBD: 3 FractionCSP3: 0.69
AlogP: 1.73 Num_rotatable_bonds: 3
MolWt: 560.6 Num_heavy_atoms: 40
TPSA: 158.05 NumAromaticRings: 1

Sugarmoiety
SD00003

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