Glycoside
...
GD141551

Name:
methyl 6-{[7,8-dihydroxy-8a-(hydroxymethyl)-4-(methoxycarbonyl)-4,6a,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}-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate

Formula:
C53H80O20

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)OC)C(O)C(OC6OCC(O)C(O)C6O)C5O)C(C)(C(=O)OC)C4CCC3(C)C1(C)C(O)C2O

Aglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C(=O)OC)C4CCC3(C)C1(C)C(O)C2O

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 8 FractionCSP3: 0.81
AlogP: 1.68 Num_rotatable_bonds: 11
MolWt: 1037.2 Num_heavy_atoms: 73
TPSA: 303.96 NumAromaticRings: 0

Unique Aglycone
AD01694
Formula: C41H62O10

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C(=O)OC)C4CCC3(C)C1(C)C(O)C2O
HBA: 10 RingCount: 5
HBD: 4 FractionCSP3: 0.78
AlogP: 5.21 Num_rotatable_bonds: 6
MolWt: 714.94 Num_heavy_atoms: 51
TPSA: 159.82 NumAromaticRings: 0

Sugarmoiety
SD01484

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