Glycoside
...
GD146001

Name:
6-({8a-[(acetyloxy)methyl]-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbutanoyl)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)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C54H84O23

Smiles:
CCC(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2CC1(C)C

Aglycone:
CCC(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 11 FractionCSP3: 0.89
AlogP: -0.4 Num_rotatable_bonds: 14
MolWt: 1101.24 Num_heavy_atoms: 77
TPSA: 364.65 NumAromaticRings: 0

Unique Aglycone
AD58574
Formula: C37H58O8

Smiles:
CCC(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.86
AlogP: 5.4 Num_rotatable_bonds: 6
MolWt: 630.86 Num_heavy_atoms: 45
TPSA: 130.36 NumAromaticRings: 0

Sugarmoiety
SD00702

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O