Glycoside
...
GD120914

Name:
9-(benzyloxy)-11,20-bis(hydroxymethyl)-2,3,11,13,20-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[16.7.2.0²,¹⁷.0³,¹⁴.0⁵,¹².0⁸,¹³.0²²,²⁷]heptacosa-6,16-diene-27-carboxylic acid

Formula:
C47H66O10

Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C5C=CC(CC2(C)C13C)C4C(C)(CO)C(OC1OCC(O)C(O)C1O)C5OCc1ccccc1

Aglycone:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C5C=CC(CC2(C)C13C)C4C(C)(CO)C(O)C5OCc1ccccc1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 9
HBD: 6 FractionCSP3: 0.77
AlogP: 5.5 Num_rotatable_bonds: 8
MolWt: 791.04 Num_heavy_atoms: 57
TPSA: 166.14 NumAromaticRings: 1

Unique Aglycone
AD48622
Formula: C42H58O6

Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C5C=CC(CC2(C)C13C)C4C(C)(CO)C(O)C5OCc1ccccc1
HBA: 6 RingCount: 8
HBD: 4 FractionCSP3: 0.74
AlogP: 7.03 Num_rotatable_bonds: 6
MolWt: 658.92 Num_heavy_atoms: 48
TPSA: 107.22 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O