Glycoside
...
GD114639

Name:
19-(benzyloxy)-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:
C49H72O10

Smiles:
CCCCCC1CC2(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:
CCCCCC1CC2(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: 0.78
AlogP: 6.67 Num_rotatable_bonds: 12
MolWt: 821.11 Num_heavy_atoms: 59
TPSA: 166.14 NumAromaticRings: 1

Unique Aglycone
AD45181
Formula: C44H64O6

Smiles:
CCCCCC1CC2(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: 0.75
AlogP: 8.2 Num_rotatable_bonds: 10
MolWt: 688.99 Num_heavy_atoms: 50
TPSA: 107.22 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O