Glycoside
...
GD019434

Name:
2-[(3,5-dihydroxy-2-{[8-hydroxy-4,8a,11-tris(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-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]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C42H68O14

Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C=CC3=C5C[C@](C)(CO)CC[C@@]5(CO)[C@H](O)C[C@]34C)[C@@]2(C)CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 10 FractionCSP3: 0.9
AlogP: 0.65 Num_rotatable_bonds: 8
MolWt: 796.99 Num_heavy_atoms: 56
TPSA: 239.22 NumAromaticRings: 0

Unique Aglycone
AD12353
Formula: C30H48O5

Smiles:
CC1(CO)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
HBA: 5 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 3.98 Num_rotatable_bonds: 3
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00046

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