Glycoside
...
GD154919

Name:
3-({5-[(5-{[5-({3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-2-hydroxy-6b-({[3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid

Formula:
C75H112O35

Smiles:
COc1ccc(C=CC(=O)OCC23CCC4(C(=O)O)CCC(C)(C)CC4C2=CCC2C4(C)CC(O)C(OC5OC(C)C(OC6OC(C)C(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(C)(C(=O)O)C4CCC23C)cc1

Aglycone:
COc1ccc(C=CC(=O)OCC23CCC4(C(=O)O)CCC(C)(C)CC4C2=CCC2C4(C)CC(O)C(O)C(C)(C(=O)O)C4CCC23C)cc1

Sugarmoiety:
CC1OC(OC2C(OC3COC(OC4C(C)OC(OC5C(C)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 35 RingCount: 12
HBD: 18 FractionCSP3: 0.83
AlogP: -2.82 Num_rotatable_bonds: 21
MolWt: 1573.69 Num_heavy_atoms: 110
TPSA: 544.57 NumAromaticRings: 1

Unique Aglycone
AD61488
Formula: C40H54O9

Smiles:
COc1ccc(C=CC(=O)OCC23CCC4(C(=O)O)CCC(C)(C)CC4C2=CCC2C4(C)CC(O)C(O)C(C)(C(=O)O)C4CCC23C)cc1
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.68
AlogP: 6.51 Num_rotatable_bonds: 7
MolWt: 678.86 Num_heavy_atoms: 49
TPSA: 150.59 NumAromaticRings: 1

Sugarmoiety
SD10294

CC1OC(OC2C(OC3COC(OC4C(C)OC(OC5C(C)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O