Glycoside
...
GD138498

Name:
2-{[1-hydroxy-1-(1-{5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6,9'-dimethyl-hexahydrospiro[oxane-2,3'-pyrano[3,4-c][1,2,5]trioxepin]-7'-yloxy}ethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-one

Formula:
C49H76O16

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(OC6CC(OC)C(O)C(C)O6)C(C)O5)OOC4C(C)O3)C2)C1=O

Aglycone:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(O)C(C)O5)OOC4C(C)O3)C2)C1=O

Sugarmoiety:
COC1CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 2 FractionCSP3: 0.9
AlogP: 5.58 Num_rotatable_bonds: 10
MolWt: 921.13 Num_heavy_atoms: 65
TPSA: 177.52 NumAromaticRings: 0

Unique Aglycone
AD48927
Formula: C42H64O13

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(O)C(C)O5)OOC4C(C)O3)C2)C1=O
HBA: 13 RingCount: 8
HBD: 2 FractionCSP3: 0.88
AlogP: 5.05 Num_rotatable_bonds: 7
MolWt: 776.96 Num_heavy_atoms: 55
TPSA: 149.83 NumAromaticRings: 0

Sugarmoiety
SD00162

COC1CC(O)OC(C)C1O