Glycoside
...
GD149340

Name:
10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C48H78O18

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(C)C(C)C(OC7OC(CO)C(O)C(O)C7O)CC6(C(=O)O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1C(O)CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: 0.56 Num_rotatable_bonds: 9
MolWt: 943.13 Num_heavy_atoms: 66
TPSA: 294.98 NumAromaticRings: 0

Unique Aglycone
AD54619
Formula: C30H48O4

Smiles:
CC1C(O)CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.06 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00525

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O