Glycoside
...
GD115390

Name:
2-methyl 4a-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-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-13-oxo-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:
C48H74O22

Smiles:
COC(=O)C1(C)CCC2(C(=O)OC3OC(O)C(O)C(O)C3CO)CCC3(C)C(=CC(=O)C4C5(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(=CC(=O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
OCC1C(O)OC(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.9
AlogP: -2.74 Num_rotatable_bonds: 10
MolWt: 1003.1 Num_heavy_atoms: 70
TPSA: 358.58 NumAromaticRings: 0

Unique Aglycone
AD11792
Formula: C31H46O8

Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 3.51 Num_rotatable_bonds: 3
MolWt: 546.7 Num_heavy_atoms: 39
TPSA: 141.36 NumAromaticRings: 0

Sugarmoiety
SD04606

OCC1C(O)OC(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O