Glycoside
...
GD129944

Name:
methyl 10-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4a-formyl-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-carboxylate

Formula:
C49H78O19

Smiles:
COC(=O)C1(C)CCC2(C=O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1

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

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.92
AlogP: -0.03 Num_rotatable_bonds: 11
MolWt: 971.14 Num_heavy_atoms: 68
TPSA: 301.05 NumAromaticRings: 0

Unique Aglycone
AD52646
Formula: C31H48O5

Smiles:
COC(=O)C1(C)CCC2(C=O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 5.47 Num_rotatable_bonds: 3
MolWt: 500.72 Num_heavy_atoms: 36
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD04629

CC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O