Glycoside
...
GD122055

Name:
2-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-2-{[8-(hydroxymethyl)-1,1,4a,8,15a,15b-hexamethyl-13-propyl-1H,2H,3H,4H,4aH,4bH,5H,6bH,7H,8H,9H,10H,11H,13H,14aH,15H,15aH,15bH,16H,17H,17aH-piceno[5,4a-d][1,3]dioxin-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C56H92O22

Smiles:
CCCC1OCC23CCC(C)(CO)CC2C2=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3O1

Aglycone:
CCCC1OCC23CCC(C)(CO)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3O1

Sugarmoiety:
OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 10
HBD: 12 FractionCSP3: 0.96
AlogP: -0.15 Num_rotatable_bonds: 13
MolWt: 1117.33 Num_heavy_atoms: 78
TPSA: 335.06 NumAromaticRings: 0

Unique Aglycone
AD49162
Formula: C34H56O4

Smiles:
CCCC1OCC23CCC(C)(CO)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3O1
HBA: 4 RingCount: 6
HBD: 2 FractionCSP3: 0.94
AlogP: 7.27 Num_rotatable_bonds: 3
MolWt: 528.82 Num_heavy_atoms: 38
TPSA: 58.92 NumAromaticRings: 0

Sugarmoiety
SD00290

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O