Glycoside
...
GD016657

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

Formula:
C69H112O36

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)C[C@H](O)[C@H](O)[C@](C)(CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@H]6[C@H](O)C[C@@]5(C)[C@@]3(C)CC4)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4C(O)OCC(O)C4O)C3O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 12
HBD: 21 FractionCSP3: 0.96
AlogP: -7.67 Num_rotatable_bonds: 18
MolWt: 1517.62 Num_heavy_atoms: 105
TPSA: 571.12 NumAromaticRings: 0

Unique Aglycone
AD09184
Formula: C30H48O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD02083

CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4C(O)OCC(O)C4O)C3O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1O