Glycoside
...
GD134934

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

Formula:
C61H96O27

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(OC4OC(CO)C(O)C(O)C4O)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(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 12 FractionCSP3: 0.89
AlogP: -1.21 Num_rotatable_bonds: 18
MolWt: 1261.41 Num_heavy_atoms: 88
TPSA: 389.05 NumAromaticRings: 1

Unique Aglycone
AD47109
Formula: C28H40O7

Smiles:
CC(O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.75
AlogP: 2.57 Num_rotatable_bonds: 3
MolWt: 488.62 Num_heavy_atoms: 35
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD05218

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC)C2O)C(C)O1