Glycoside
...
GD149843

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

Formula:
C53H84O23

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7C(C(=O)OC8OC(CO)C(O)C(O)C8O)(CCC(C)C7(C)O)CCC56C)C4(C)C=O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1(C)O

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 13 FractionCSP3: 0.92
AlogP: -2.22 Num_rotatable_bonds: 11
MolWt: 1089.23 Num_heavy_atoms: 76
TPSA: 370.97 NumAromaticRings: 0

Unique Aglycone
AD54191
Formula: C30H46O5

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1(C)O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.38 Num_rotatable_bonds: 2
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD06094

CC1OC(OC2C(OC3C(O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O