Glycoside
...
GD141701

Name:
3,5-dihydroxy-6-{[8-hydroxy-5,8a-bis(hydroxymethyl)-5,6a,6b,11,11,14b-hexamethyl-9,10-bis[(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-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C51H78O18

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)CC5C(C)(CO)CC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)CC5C(C)(CO)CC43C)C2CC1(C)C

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 9 FractionCSP3: 0.82
AlogP: 2.44 Num_rotatable_bonds: 11
MolWt: 979.17 Num_heavy_atoms: 69
TPSA: 288.66 NumAromaticRings: 0

Unique Aglycone
AD57069
Formula: C40H62O8

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)CC5C(C)(CO)CC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.8
AlogP: 6.06 Num_rotatable_bonds: 6
MolWt: 670.93 Num_heavy_atoms: 48
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00379

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