Glycoside
...
GD010468

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

Formula:
C49H76O18

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](O)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)[C@H](O)[C@H](OC(C)=O)[C@@]12CO

Aglycone:
CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(OC(C)=O)C21CO

Sugarmoiety:
CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 9 FractionCSP3: 0.86
AlogP: 1.88 Num_rotatable_bonds: 9
MolWt: 953.13 Num_heavy_atoms: 67
TPSA: 288.66 NumAromaticRings: 0

Unique Aglycone
AD08078
Formula: C37H58O8

Smiles:
CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(OC(C)=O)C21CO
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 5.11 Num_rotatable_bonds: 4
MolWt: 630.86 Num_heavy_atoms: 45
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00339

CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O