Glycoside
...
GD144597

Name:
9-(but-1-en-1-yl)-3-hydroxy-13-[(5-hydroxy-6-methyloxan-2-yl)oxy]-14-methyl-2-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

Formula:
C41H62O12

Smiles:
CCC=CC1CCCC(OC2CCC(O)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4C(O)C(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1

Aglycone:
CCC=CC1CCCC(OC2CCC(O)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4C(O)C(O)CC43)C2CC(=O)O1

Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OC

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 2 FractionCSP3: 0.8
AlogP: 4.45 Num_rotatable_bonds: 9
MolWt: 746.94 Num_heavy_atoms: 53
TPSA: 148.44 NumAromaticRings: 0

Unique Aglycone
AD58099
Formula: C32H46O8

Smiles:
CCC=CC1CCCC(OC2CCC(O)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4C(O)C(O)CC43)C2CC(=O)O1
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.75
AlogP: 3.63 Num_rotatable_bonds: 4
MolWt: 558.71 Num_heavy_atoms: 40
TPSA: 122.52 NumAromaticRings: 0

Sugarmoiety
SD00444

COC1C(C)OC(O)C(OC)C1OC