Glycoside
...
GD140782

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

Formula:
C77H126O42

Smiles:
CC1OC(O)C(OC2OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6C(O)C(CO)OC(OCC7OC(OC8C(C)OC(O)C(O)C8O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6O)CCC45C)C3(C)CO)C(O)C(O)C2O)C(OCC2OC(OC3C(O)C(O)OC(CO)C3O)C(O)C(O)C2O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(OCC2OC(OC3C(O)C(O)OC(CO)C3O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 13
HBD: 25 FractionCSP3: 0.96
AlogP: -9.75 Num_rotatable_bonds: 22
MolWt: 1723.81 Num_heavy_atoms: 119
TPSA: 670.5 NumAromaticRings: 0

Unique Aglycone
AD00356
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.21 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD08615

CC1OC(O)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(OCC2OC(OC3C(O)C(O)OC(CO)C3O)C(O)C(O)C2O)C1O