Glycoside
...
GD150562

Name:
19-(benzyloxy)-3-ethyl-8,17-bis(hydroxymethyl)-1,2,8,15,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰.0¹⁶,²³]tetracosa-11,21-diene-5-carboxylic acid

Formula:
C46H66O10

Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C5C=CC(CC3(C)C21C)C4C(C)(CO)C(OC1OCC(O)C(O)C1O)C5OCc1ccccc1

Aglycone:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C5C=CC(CC3(C)C21C)C4C(C)(CO)C(O)C5OCc1ccccc1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 8
HBD: 6 FractionCSP3: 0.76
AlogP: 5.5 Num_rotatable_bonds: 9
MolWt: 779.02 Num_heavy_atoms: 56
TPSA: 166.14 NumAromaticRings: 1

Unique Aglycone
AD60127
Formula: C41H58O6

Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C5C=CC(CC3(C)C21C)C4C(C)(CO)C(O)C5OCc1ccccc1
HBA: 6 RingCount: 7
HBD: 4 FractionCSP3: 0.73
AlogP: 7.03 Num_rotatable_bonds: 7
MolWt: 646.91 Num_heavy_atoms: 47
TPSA: 107.22 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O