Glycoside
...
GD125262

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 8-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-12-hydroxy-4a,4b,7,7,10a-pentamethyl-2-(3-methyl-4-oxopentyl)-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydrochrysene-2-carboxylate

Formula:
C47H76O19

Smiles:
CC(=O)C(C)CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)C=C2C(O)CC3C4(C)CCC(OC5OCC(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(C)(C)C4CCC3(C)C2(C)CC1

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

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 11 FractionCSP3: 0.91
AlogP: -0.68 Num_rotatable_bonds: 12
MolWt: 945.11 Num_heavy_atoms: 66
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD45202
Formula: C30H48O5

Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.87
AlogP: 5.77 Num_rotatable_bonds: 5
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD01281

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O