Glycoside
...
GD137945

Name:
1-acetyl-1,3a,3b-trihydroxy-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-11-yl benzoate

Formula:
C55H84O22

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(O)(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)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)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: 8 FractionCSP3: 0.85
AlogP: 1.18 Num_rotatable_bonds: 15
MolWt: 1097.26 Num_heavy_atoms: 77
TPSA: 306.74 NumAromaticRings: 1

Unique Aglycone
AD46631
Formula: C28H38O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.71
AlogP: 2.78 Num_rotatable_bonds: 3
MolWt: 486.61 Num_heavy_atoms: 35
TPSA: 124.29 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