Glycoside
...
GD149168

Name:
1-acetyl-11-(acetyloxy)-3a-hydroxy-7-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl benzoate

Formula:
C57H86O22

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3C(OC(=O)c3ccccc3)C(OC(C)=O)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC1C(OC(=O)c2ccccc2)C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 6 FractionCSP3: 0.84
AlogP: 2.49 Num_rotatable_bonds: 16
MolWt: 1123.29 Num_heavy_atoms: 79
TPSA: 292.58 NumAromaticRings: 1

Unique Aglycone
AD45180
Formula: C30H40O7

Smiles:
CC(=O)OC1C(OC(=O)c2ccccc2)C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.7
AlogP: 4.09 Num_rotatable_bonds: 4
MolWt: 512.64 Num_heavy_atoms: 37
TPSA: 110.13 NumAromaticRings: 1

Sugarmoiety
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1