Glycoside
...
GD157934

Name:
4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 4a,4b,7,7,10a-pentamethyl-2-(3-methyl-4-oxopentyl)-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b-tetradecahydrochrysene-2-carboxylate

Formula:
C52H82O21

Smiles:
CC(=O)C(C)CCC1(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C=C2C=CC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(C)CC1

Aglycone:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1

Sugarmoiety:
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.88
AlogP: -0.38 Num_rotatable_bonds: 13
MolWt: 1043.21 Num_heavy_atoms: 73
TPSA: 330.51 NumAromaticRings: 0

Unique Aglycone
AD45930
Formula: C30H46O4

Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.8
AlogP: 6.58 Num_rotatable_bonds: 5
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD04682

CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O