Glycoside
...
GD124905

Name:
19-(benzyloxy)-6-hydroxy-8,17-bis(hydroxymethyl)-1,2,8,15,17-pentamethyl-3-pentyl-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:
C49H72O11

Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC3C4(C)C5C=CC(CC3(C)C21C)C4C(C)(CO)C(OC1OCC(O)C(O)C1O)C5OCc1ccccc1

Aglycone:
CCCCCC1CC2(C(=O)O)C(O)CC(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: 11 RingCount: 8
HBD: 7 FractionCSP3: 0.78
AlogP: 5.64 Num_rotatable_bonds: 12
MolWt: 837.1 Num_heavy_atoms: 60
TPSA: 186.37 NumAromaticRings: 1

Unique Aglycone
AD50494
Formula: C44H64O7

Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC3C4(C)C5C=CC(CC3(C)C21C)C4C(C)(CO)C(O)C5OCc1ccccc1
HBA: 7 RingCount: 7
HBD: 5 FractionCSP3: 0.75
AlogP: 7.17 Num_rotatable_bonds: 10
MolWt: 704.99 Num_heavy_atoms: 51
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O