Glycoside
...
GD119640

Name:
6-{[9-(acetyloxy)-8,10-dihydroxy-4,8a-bis(hydroxymethyl)-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}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C49H78O22

Smiles:
CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO

Aglycone:
CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 13 FractionCSP3: 0.92
AlogP: -2.2 Num_rotatable_bonds: 11
MolWt: 1019.14 Num_heavy_atoms: 71
TPSA: 361.74 NumAromaticRings: 0

Unique Aglycone
AD12345
Formula: C32H52O7

Smiles:
CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.91
AlogP: 3.6 Num_rotatable_bonds: 3
MolWt: 548.76 Num_heavy_atoms: 39
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00181

O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O