Glycoside
...
GD121445

Name:
4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-6-{[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(2-methylbut-2-enoyl)oxy]-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}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C66H96O26

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

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

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 10
HBD: 13 FractionCSP3: 0.77
AlogP: 0.5 Num_rotatable_bonds: 16
MolWt: 1305.47 Num_heavy_atoms: 92
TPSA: 406.5 NumAromaticRings: 1

Unique Aglycone
AD48888
Formula: C44H62O7

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.68
AlogP: 7.84 Num_rotatable_bonds: 6
MolWt: 702.97 Num_heavy_atoms: 51
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD00052

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O