Glycoside
...
GD010505

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

Formula:
C56H88O24

Smiles:
C[C@@H]1C(=O)CC[C@]2(C)C3CC=C4[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@@]4(C)[C@@]3(C)CC[C@H]12

Aglycone:
CC1C(=O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)C(O)CC21C

Sugarmoiety:
CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(OC5OCC(O)C(O)C5O)C(O)C4O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 12 FractionCSP3: 0.93
AlogP: -1.45 Num_rotatable_bonds: 10
MolWt: 1145.3 Num_heavy_atoms: 80
TPSA: 369.2 NumAromaticRings: 0

Unique Aglycone
AD08104
Formula: C29H44O4

Smiles:
CC1C(=O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)C(O)CC21C
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 6.02 Num_rotatable_bonds: 1
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD01518

CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(OC5OCC(O)C(O)C5O)C(O)C4O)C3O)C(O)C2O)C(O)C1O