Glycoside
...
GD152784

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

Formula:
C50H70O18

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(OC)C(OC2OC(CO)C(O)C(O)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(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 5 FractionCSP3: 0.72
AlogP: 2.51 Num_rotatable_bonds: 16
MolWt: 959.09 Num_heavy_atoms: 68
TPSA: 252.5 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
SD04683

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1