Glycoside
...
GD116693

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

Formula:
C66H106O30

Smiles:
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(C)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O

Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(C)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 11
HBD: 17 FractionCSP3: 0.92
AlogP: -3.53 Num_rotatable_bonds: 15
MolWt: 1379.54 Num_heavy_atoms: 96
TPSA: 471.74 NumAromaticRings: 0

Unique Aglycone
AD20112
Formula: C30H46O4

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 6.12 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD04907

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(C)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O