Glycoside
...
GD128519

Name:
10-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-4a,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylic acid

Formula:
C48H76O20

Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C(=O)O)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC1(C(=O)O)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1

Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 13 FractionCSP3: 0.9
AlogP: -1.43 Num_rotatable_bonds: 11
MolWt: 973.12 Num_heavy_atoms: 68
TPSA: 335.44 NumAromaticRings: 0

Unique Aglycone
AD17895
Formula: C30H46O6

Smiles:
CC1(C(=O)O)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.83
AlogP: 4.07 Num_rotatable_bonds: 3
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD01501

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O