Glycoside
...
GD120503

Name:
2-[4-(19-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-16-hydroxy-6-methoxy-7,9,13,18-tetramethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C47H80O19

Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(CO)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C5(C)CC(O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:
COC1(CCC(C)CO)OC2CC3C4CC(O)C5(C)CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 1.0
AlogP: -0.74 Num_rotatable_bonds: 13
MolWt: 949.14 Num_heavy_atoms: 66
TPSA: 296.37 NumAromaticRings: 0

Unique Aglycone
AD48419
Formula: C29H50O5

Smiles:
COC1(CCC(C)CO)OC2CC3C4CC(O)C5(C)CC(O)CCC5(C)C4CCC3(C)C2C1C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 1.0
AlogP: 4.76 Num_rotatable_bonds: 5
MolWt: 478.71 Num_heavy_atoms: 34
TPSA: 79.15 NumAromaticRings: 0

Sugarmoiety
SD03058

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O