Glycoside
...
GD116724

Name:
5-[(5-carboxy-2,3,4-trihydroxycyclohexyl)oxy]-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-dihydroxyoxane-2-carboxylic acid

Formula:
C43H64O15

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6CC(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.O=C(O)C1CC(O)C(O)C(O)C1O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.86
AlogP: 2.91 Num_rotatable_bonds: 7
MolWt: 820.97 Num_heavy_atoms: 58
TPSA: 257.81 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
AD46407
Formula: C7H12O6

Smiles:
O=C(O)C1CC(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 5 FractionCSP3: 0.86
AlogP: -2.47 Num_rotatable_bonds: 1
MolWt: 192.17 Num_heavy_atoms: 13
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O