Glycoside
...
GD010089

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 5,9,10-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:
C56H90O25

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CCC5[C@]6(C)CC[C@H](O)[C@@](C)(O)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)O[C@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[C@@H]2OC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C2C1

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: 25 RingCount: 10
HBD: 14 FractionCSP3: 0.95
AlogP: -2.54 Num_rotatable_bonds: 10
MolWt: 1163.31 Num_heavy_atoms: 81
TPSA: 392.59 NumAromaticRings: 0

Unique Aglycone
AD07838
Formula: C29H46O5

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 4.93 Num_rotatable_bonds: 1
MolWt: 474.68 Num_heavy_atoms: 34
TPSA: 97.99 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