Glycoside
...
GD004836

Name:
10-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-5-hydroxy-3-{[2-(hydroxymethyl)-6-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]octa-2,7-dienoyl]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-carboxylic acid

Formula:
C69H110O30

Smiles:
C=CC(C)(CCC=C(CO)C(=O)O[C@@H]1C[C@@]2(C(=O)O)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2CC1(C)C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 10
HBD: 17 FractionCSP3: 0.88
AlogP: -1.82 Num_rotatable_bonds: 20
MolWt: 1419.61 Num_heavy_atoms: 99
TPSA: 479.58 NumAromaticRings: 0

Unique Aglycone
AD00320
Formula: C40H62O8

Smiles:
C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.8
AlogP: 6.36 Num_rotatable_bonds: 8
MolWt: 670.93 Num_heavy_atoms: 48
TPSA: 144.52 NumAromaticRings: 0

Sugarmoiety
SD00914

CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O