Glycoside
...
GD016166

Name:
6-{[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}-4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C59H94O24

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

Aglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC12CO

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 13 FractionCSP3: 0.9
AlogP: 0.05 Num_rotatable_bonds: 14
MolWt: 1187.38 Num_heavy_atoms: 83
TPSA: 380.2 NumAromaticRings: 0

Unique Aglycone
AD11677
Formula: C35H56O4

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC12CO
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 7.63 Num_rotatable_bonds: 3
MolWt: 540.83 Num_heavy_atoms: 39
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00711

CC1OC(OC2C(CO)OC(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O