Glycoside
...
GD116964

Name:
3,4,5-trihydroxy-6-methyloxan-2-yl 10-({3-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2,2,6a,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:
C69H112O33

Smiles:
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OCC(OC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(OC3C(OC4OCC(O)C(O)C4O)COC(OC4C(O)OC(CO)C(OC5OCC(O)C(O)C5O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 12
HBD: 18 FractionCSP3: 0.96
AlogP: -4.59 Num_rotatable_bonds: 16
MolWt: 1469.62 Num_heavy_atoms: 102
TPSA: 510.43 NumAromaticRings: 0

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD04961

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(OC3C(OC4OCC(O)C(O)C4O)COC(OC4C(O)OC(CO)C(OC5OCC(O)C(O)C5O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O