Glycoside
...
GD152065

Name:
6-{[8,10-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(3-phenylprop-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C66H96O27

Smiles:
CC(=O)OC1C(OC(=O)C=Cc2ccccc2)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
CC(=O)OC1C(OC(=O)C=Cc2ccccc2)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 12 FractionCSP3: 0.79
AlogP: 0.52 Num_rotatable_bonds: 16
MolWt: 1321.47 Num_heavy_atoms: 93
TPSA: 412.57 NumAromaticRings: 1

Unique Aglycone
AD60579
Formula: C43H60O8

Smiles:
CC(=O)OC1C(OC(=O)C=Cc2ccccc2)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.7
AlogP: 7.46 Num_rotatable_bonds: 6
MolWt: 704.95 Num_heavy_atoms: 51
TPSA: 119.36 NumAromaticRings: 1

Sugarmoiety
SD05512

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O