Glycoside
...
GD018169

Name:
{6-[(3,5-dihydroxy-2-{[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Formula:
C44H70O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C=CC4=C6CC(C)(C)CC[C@@]6(CO)[C@H](O)C[C@]45C)[C@@]3(C)CO)O[C@@H](C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1.COC(C)=O

Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.89
AlogP: 2.25 Num_rotatable_bonds: 8
MolWt: 823.03 Num_heavy_atoms: 58
TPSA: 225.06 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00662
Formula: C30H48O4

Smiles:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.0 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD01607

CC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1O