Glycoside
...
GD155215

Name:
7-(benzyloxy)-20-hydroxy-9,22-bis(hydroxymethyl)-5,9,22,25-tetramethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[16.6.2.0⁴,¹³.0⁵,¹⁰.0¹³,²⁵.0¹⁹,²⁴]hexacos-1-ene-19-carboxylic acid

Formula:
C45H66O11

Smiles:
CC1(CO)CC(O)C2(C(=O)O)C3CCCCC45CCC6C(C)(CO)C(OC7OCC(O)C(O)C7O)C(OCc7ccccc7)CC6(C)C4CC=C(C2C1)C5(C)C3

Aglycone:
CC1(CO)CC(O)C2(C(=O)O)C3CCCCC45CCC6C(C)(CO)C(O)C(OCc7ccccc7)CC6(C)C4CC=C(C2C1)C5(C)C3

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 8
HBD: 7 FractionCSP3: 0.8
AlogP: 4.59 Num_rotatable_bonds: 8
MolWt: 783.01 Num_heavy_atoms: 56
TPSA: 186.37 NumAromaticRings: 1

Unique Aglycone
AD61581
Formula: C40H58O7

Smiles:
CC1(CO)CC(O)C2(C(=O)O)C3CCCCC45CCC6C(C)(CO)C(O)C(OCc7ccccc7)CC6(C)C4CC=C(C2C1)C5(C)C3
HBA: 7 RingCount: 7
HBD: 5 FractionCSP3: 0.78
AlogP: 6.12 Num_rotatable_bonds: 6
MolWt: 650.9 Num_heavy_atoms: 47
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O