Glycoside
...
GD132487

Name:
4-(acetyloxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-[(2-methylbut-2-enoyl)oxy]-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C43H66O13

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 6 FractionCSP3: 0.84
AlogP: 4.06 Num_rotatable_bonds: 8
MolWt: 790.99 Num_heavy_atoms: 56
TPSA: 209.51 NumAromaticRings: 0

Unique Aglycone
AD51775
Formula: C37H56O8

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.81
AlogP: 6.24 Num_rotatable_bonds: 5
MolWt: 628.85 Num_heavy_atoms: 45
TPSA: 130.36 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O