Glycoside
...
GD036843

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-1-hydroxy-1,2,6a,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:
C43H68O14

Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5[C@](C(=O)O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)(CC[C@H](C)[C@]5(C)O)CC[C@]34C)C2(C)C)OC[C@H](O)[C@H]1O

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 7 FractionCSP3: 0.91
AlogP: 2.5 Num_rotatable_bonds: 6
MolWt: 809.0 Num_heavy_atoms: 57
TPSA: 221.9 NumAromaticRings: 0

Unique Aglycone
AD03080
Formula: C30H48O4

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD01056

CC(=O)OC1C(O)OCC(O)C1O.OCC1OC(O)C(O)C(O)C1O