Glycoside
...
GD150137

Name:
{3,4,5-trihydroxy-6-[(2,3,4,5,6-pentahydroxyhexyl)oxy]oxan-2-yl}methyl 10-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-4a,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylate

Formula:
C60H98O30

Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C(=O)OCC6OC(OCC(O)C(O)C(O)C(O)CO)C(O)C(O)C6O)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
COC(=O)C1(C)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)C2OC2OC(CO)C(O)C(O)C2O)C1O.OCC(O)C(O)C(O)C(O)COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 9
HBD: 20 FractionCSP3: 0.92
AlogP: -6.71 Num_rotatable_bonds: 20
MolWt: 1299.41 Num_heavy_atoms: 90
TPSA: 504.74 NumAromaticRings: 0

Unique Aglycone
AD49545
Formula: C31H48O6

Smiles:
COC(=O)C1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 4.16 Num_rotatable_bonds: 3
MolWt: 516.72 Num_heavy_atoms: 37
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD09750

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O.OCC(O)C(O)C(O)C(O)COC1OC(O)C(O)C(O)C1O