Glycoside
...
GD119841

Name:
2-methyl 4a-(3,4,5-trihydroxyoxan-2-yl) 10-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylate

Formula:
C47H74O20

Smiles:
COC(=O)C1(C)CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.91
AlogP: -1.48 Num_rotatable_bonds: 9
MolWt: 959.09 Num_heavy_atoms: 67
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD03249
Formula: C31H48O7

Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 4.33 Num_rotatable_bonds: 3
MolWt: 532.72 Num_heavy_atoms: 38
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD05516

OC1COC(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O