Glycoside
...
GD124792

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

Formula:
C61H102O29

Smiles:
COC1CC2=C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C)C(O)C(OC5OC(COC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)C(O)C5O)C4OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12

Aglycone:
COC1CC2=C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 10
HBD: 18 FractionCSP3: 0.97
AlogP: -5.0 Num_rotatable_bonds: 17
MolWt: 1299.46 Num_heavy_atoms: 90
TPSA: 465.67 NumAromaticRings: 0

Unique Aglycone
AD50434
Formula: C31H52O5

Smiles:
COC1CC2=C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.94
AlogP: 4.85 Num_rotatable_bonds: 3
MolWt: 504.75 Num_heavy_atoms: 36
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD06376

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C1O