Glycoside
...
GD142332

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

Formula:
C49H82O20

Smiles:
COC1CC2(C)C(=CC(O)C3C4(C)CCC(OC5OC(C)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(CO)C4CCC32C)C2CC(C)(C)C(O)CC12CO

Aglycone:
COC1CC2(C)C(=CC(O)C3C4(C)CCC(O)C(C)(CO)C4CCC32C)C2CC(C)(C)C(O)CC12CO

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 13 FractionCSP3: 0.96
AlogP: -1.82 Num_rotatable_bonds: 11
MolWt: 991.17 Num_heavy_atoms: 69
TPSA: 327.6 NumAromaticRings: 0

Unique Aglycone
AD57281
Formula: C31H52O6

Smiles:
COC1CC2(C)C(=CC(O)C3C4(C)CCC(O)C(C)(CO)C4CCC32C)C2CC(C)(C)C(O)CC12CO
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.94
AlogP: 3.68 Num_rotatable_bonds: 3
MolWt: 520.75 Num_heavy_atoms: 37
TPSA: 110.38 NumAromaticRings: 0

Sugarmoiety
SD00935

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O