Glycoside
...
GD139667

Name:
2-methyl 4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-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:
C48H76O21

Smiles:
COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)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:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: -2.12 Num_rotatable_bonds: 10
MolWt: 989.12 Num_heavy_atoms: 69
TPSA: 341.51 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
SD06986

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O