Glycoside
...
GD137468

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

Formula:
C48H74O19

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.88
AlogP: 0.72 Num_rotatable_bonds: 9
MolWt: 955.1 Num_heavy_atoms: 67
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD55534
Formula: C30H48O3

Smiles:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 6.03 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00126

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