Glycoside
...
GD139532

Name:
8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1,9-dihydroxy-4a,4b,7,7,10a-pentamethyl-5'-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-yl)-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-tetradecahydro-1H-spiro[chrysene-2,3'-oxolan]-2'-one

Formula:
C48H78O20

Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2O)C(=O)O1

Aglycone:
CC(O)C(C)C1CC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2O)C(=O)O1

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: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.94
AlogP: -1.51 Num_rotatable_bonds: 10
MolWt: 975.13 Num_heavy_atoms: 68
TPSA: 324.44 NumAromaticRings: 0

Unique Aglycone
AD53737
Formula: C30H48O6

Smiles:
CC(O)C(C)C1CC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2O)C(=O)O1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 3.99 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00525

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