Glycoside
...
GD021439

Name:
2-methyl 4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11-hydroxy-9-(hydroxymethyl)-13-methoxy-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylate

Formula:
C49H78O22

Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C[C@H](OC)[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC(OC)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: -2.5 Num_rotatable_bonds: 11
MolWt: 1019.14 Num_heavy_atoms: 71
TPSA: 350.74 NumAromaticRings: 0

Unique Aglycone
AD13300
Formula: C32H50O8

Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC(OC)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.88
AlogP: 3.95 Num_rotatable_bonds: 4
MolWt: 562.74 Num_heavy_atoms: 40
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00168

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O