Glycoside
...
GD128265

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

Formula:
C63H102O30

Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)C(C)(O)C3C3=CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

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

Sugarmoiety:
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 11
HBD: 17 FractionCSP3: 0.95
AlogP: -4.47 Num_rotatable_bonds: 14
MolWt: 1339.48 Num_heavy_atoms: 93
TPSA: 471.74 NumAromaticRings: 0

Unique Aglycone
AD03080
Formula: C30H48O4

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD06911

CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O