Glycoside
...
GD114630

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 13-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C48H74O19

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC6(C)C(=CC(O)C7C8(C)CCC(=O)C(C)(C)C8CCC76C)C4CC(C)(C)C(=O)C5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2C3=CC(O)C4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1=O

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.9
AlogP: -0.47 Num_rotatable_bonds: 8
MolWt: 955.1 Num_heavy_atoms: 67
TPSA: 308.89 NumAromaticRings: 0

Unique Aglycone
AD45178
Formula: C30H44O5

Smiles:
CC1(C)CC2C3=CC(O)C4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1=O
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 5.59 Num_rotatable_bonds: 1
MolWt: 484.68 Num_heavy_atoms: 35
TPSA: 91.67 NumAromaticRings: 0

Sugarmoiety
SD00047

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O