Glycoside
...
GD000681

Name:
6-{[4,4,6a,11,11,12b,13c-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1H,2H,3H,4H,4aH,5H,6H,6aH,8H,8aH,9H,10H,11H,12H,12aH,12bH,12cH,13aH,13bH,13cH-piceno[13,14-b]oxiren-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C42H64O15

Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC=C3[C@@]4(C)CC[C@@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4[C@@H]4O[C@H]4[C@@]3(C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4C4OC4C3(C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 8 FractionCSP3: 0.9
AlogP: 1.4 Num_rotatable_bonds: 6
MolWt: 808.96 Num_heavy_atoms: 57
TPSA: 245.43 NumAromaticRings: 0

Unique Aglycone
AD00734
Formula: C30H46O4

Smiles:
CC1(C)CCC2(C(=O)O)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4C4OC4C3(C)C2C1
HBA: 4 RingCount: 6
HBD: 2 FractionCSP3: 0.9
AlogP: 6.22 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 70.06 NumAromaticRings: 0

Sugarmoiety
SD00227

O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O