Glycoside
...
GD139782

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

Formula:
C70H110O30

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)C=Cc3ccccc3)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)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)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 30 RingCount: 11
HBD: 12 FractionCSP3: 0.87
AlogP: -0.27 Num_rotatable_bonds: 22
MolWt: 1431.62 Num_heavy_atoms: 100
TPSA: 416.74 NumAromaticRings: 1

Unique Aglycone
AD51956
Formula: C30H42O7

Smiles:
CC(O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.7
AlogP: 2.97 Num_rotatable_bonds: 4
MolWt: 514.66 Num_heavy_atoms: 37
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD08501

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1