Glycoside
...
GD127072

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

Formula:
C47H74O17

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO

Aglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.87
AlogP: 1.31 Num_rotatable_bonds: 10
MolWt: 911.09 Num_heavy_atoms: 64
TPSA: 282.59 NumAromaticRings: 0

Unique Aglycone
AD06699
Formula: C35H56O6

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.86
AlogP: 5.57 Num_rotatable_bonds: 4
MolWt: 572.83 Num_heavy_atoms: 41
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD01364

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