Glycoside
...
GD116998

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

Formula:
C49H80O19

Smiles:
COC(=O)C12CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CC(O)C43C)C1CC(C)(C)CC2O

Aglycone:
COC(=O)C12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CC(O)C43C)C1CC(C)(C)CC2O

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: -0.24 Num_rotatable_bonds: 9
MolWt: 973.16 Num_heavy_atoms: 68
TPSA: 304.21 NumAromaticRings: 0

Unique Aglycone
AD46575
Formula: C31H50O5

Smiles:
COC(=O)C12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CC(O)C43C)C1CC(C)(C)CC2O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 5.26 Num_rotatable_bonds: 1
MolWt: 502.74 Num_heavy_atoms: 36
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD01439

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