Glycoside
...
GD140711

Name:
7-[(5-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-hydroxy-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:
C55H86O20

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)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(O)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 7 FractionCSP3: 0.87
AlogP: 3.02 Num_rotatable_bonds: 14
MolWt: 1067.27 Num_heavy_atoms: 75
TPSA: 269.44 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
SD00860

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1