Glycoside
...
GD129123

Name:
1-(2-acetyl-1-methyl-5-oxocyclopentyl)-2-(6-{[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-hydroxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4a-hydroxy-8a-methyl-2-oxo-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl 3-phenylprop-2-enoate

Formula:
C62H90O27

Smiles:
COC1CC(OC2CCC3(C)C(CC(OC(=O)C=Cc4ccccc4)C4(C)C(=O)CCC4C(C)=O)C(=O)C=CC3(O)C2)OC(C)C1OC1CC(O)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)C1CCC(=O)C1(C)C(CC1C(=O)C=CC2(O)CC(O)CCC12C)OC(=O)C=Cc1ccccc1

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)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: 9
HBD: 10 FractionCSP3: 0.77
AlogP: -0.82 Num_rotatable_bonds: 21
MolWt: 1267.38 Num_heavy_atoms: 89
TPSA: 390.57 NumAromaticRings: 1

Unique Aglycone
AD47570
Formula: C30H36O7

Smiles:
CC(=O)C1CCC(=O)C1(C)C(CC1C(=O)C=CC2(O)CC(O)CCC12C)OC(=O)C=Cc1ccccc1
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.53
AlogP: 3.61 Num_rotatable_bonds: 7
MolWt: 508.61 Num_heavy_atoms: 37
TPSA: 117.97 NumAromaticRings: 1

Sugarmoiety
SD07047

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