Glycoside
...
GD149155

Name:
10-(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}-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl 3-phenylprop-2-enoate

Formula:
C59H90O22

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3C(OC(C)=O)C(OC(=O)C=Cc3ccccc3)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)OC1C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)O)C2(C)C1OC(=O)C=Cc1ccccc1

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: 7 FractionCSP3: 0.83
AlogP: 2.68 Num_rotatable_bonds: 17
MolWt: 1151.35 Num_heavy_atoms: 81
TPSA: 295.74 NumAromaticRings: 1

Unique Aglycone
AD51624
Formula: C32H44O7

Smiles:
CC(=O)OC1C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)O)C2(C)C1OC(=O)C=Cc1ccccc1
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.69
AlogP: 4.28 Num_rotatable_bonds: 5
MolWt: 540.7 Num_heavy_atoms: 39
TPSA: 113.29 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