Glycoside
...
GD145554

Name:
13-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-14-methyl-9-[(methylsulfanyl)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:
C41H65O10NS

Smiles:
COC1C(C)OC(OC2CC3C=CC4C5CC(=O)OC(CSC)CCCC(OC6CCC(N(C)C)C(C)O6)C(C)C(=O)C5=CC4C3C2)C(OC)C1OC

Aglycone:
CSCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 0 FractionCSP3: 0.85
AlogP: 5.44 Num_rotatable_bonds: 10
MolWt: 764.04 Num_heavy_atoms: 53
TPSA: 111.22 NumAromaticRings: 0

Unique Aglycone
AD58417
Formula: C32H49O6NS

Smiles:
CSCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1
HBA: 7 RingCount: 5
HBD: 1 FractionCSP3: 0.81
AlogP: 4.63 Num_rotatable_bonds: 5
MolWt: 575.81 Num_heavy_atoms: 40
TPSA: 85.3 NumAromaticRings: 0

Sugarmoiety
SD00444

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