Glycoside
...
GD009542

Name:
4-hydroxy-6-{[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C54H88O23

Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(CO)[C@H](O)C[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

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

Sugarmoiety:
CC1OC(OC2C(O)OC(C(=O)O)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 14 FractionCSP3: 0.94
AlogP: -1.47 Num_rotatable_bonds: 12
MolWt: 1105.28 Num_heavy_atoms: 77
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD07473
Formula: C30H50O3

Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 1
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD01478

CC1OC(OC2C(O)OC(C(=O)O)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2O)C(O)C(O)C1O