Glycoside
...
GD155507

Name:
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)oxane-2-carboxylic acid

Formula:
C54H84O22

Smiles:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1

Aglycone:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 12 FractionCSP3: 0.89
AlogP: 0.81 Num_rotatable_bonds: 12
MolWt: 1085.24 Num_heavy_atoms: 76
TPSA: 350.74 NumAromaticRings: 0

Unique Aglycone
AD45334
Formula: C36H56O6

Smiles:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1
HBA: 6 RingCount: 6
HBD: 3 FractionCSP3: 0.86
AlogP: 7.24 Num_rotatable_bonds: 3
MolWt: 584.84 Num_heavy_atoms: 42
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD02101

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O