Glycoside
...
GD137237

Name:
2-[6a-({[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-1-(3-hydroxypropyl)-1,4a,4b,9,9-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-2-yl]prop-2-enoic acid

Formula:
C48H76O20

Smiles:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C(O)C4O)CCC32C)C1(C)CCCO

Aglycone:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)CCC32C)C1(C)CCCO

Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 12 FractionCSP3: 0.88
AlogP: -0.63 Num_rotatable_bonds: 14
MolWt: 973.12 Num_heavy_atoms: 68
TPSA: 332.28 NumAromaticRings: 0

Unique Aglycone
AD55458
Formula: C30H46O5

Smiles:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)CCC32C)C1(C)CCCO
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.8
AlogP: 6.47 Num_rotatable_bonds: 6
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD05311

OCC1OC(OC2C(O)C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O