Glycoside
...
GD137951

Name:
5-{[(6-carboxy-3,4,5-trihydroxy-2-methyloxan-2-yl)methoxy]methyl}-6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxy-5-methyloxane-2-carboxylic acid

Formula:
C46H70O16

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6(C)COCC6(C)OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1(COCC2(C)C(O)OC(C(=O)O)C(O)C2O)OC(C(=O)O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 8 FractionCSP3: 0.87
AlogP: 3.32 Num_rotatable_bonds: 9
MolWt: 879.05 Num_heavy_atoms: 62
TPSA: 267.04 NumAromaticRings: 0

Unique Aglycone
AD02343
Formula: C30H46O4

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD08254

CC1(COCC2(C)C(O)OC(C(=O)O)C(O)C2O)OC(C(=O)O)C(O)C(O)C1O