Glycoside
...
GD151367

Name:
3,3',4,4',5,5',6'-heptahydroxy-2'-(hydroxymethyl)-6-methyl-6'-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-[2,3'-bioxan]-2-yl 10-{[6-({[3,3',4,4',5,5',6'-heptahydroxy-2'-(hydroxymethyl)-6-methyl-[2,3'-bioxan]-6'-yl]oxy}methyl)-2,3,4,5-tetrahydroxyoxan-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:
C66H108O35

Smiles:
CC1OC(C2(O)C(CO)OC(O)(OCC3OC(O)(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7(C8(O)C(CO)OC(O)(OCC9OC(O)C(O)C(O)C9O)C(O)C8O)OC(C)C(O)C(O)C7O)CCC56C)C4(C)C)C(O)C(O)C3O)C(O)C2O)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(C2(O)C(CO)OC(O)(OCC3OC(O)(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(O)(C2(O)C(CO)OC(O)(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 35 RingCount: 11
HBD: 24 FractionCSP3: 0.95
AlogP: -8.27 Num_rotatable_bonds: 14
MolWt: 1461.56 Num_heavy_atoms: 101
TPSA: 594.89 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
SD09904

CC1OC(C2(O)C(CO)OC(O)(OCC3OC(O)(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(O)(C2(O)C(CO)OC(O)(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O