Glycoside
...
GD115073

Name:
1-(1-{5-[(4-hydroxy-5-{[5-({5-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-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-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7,11a-triol

Formula:
C62H102O24

Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC4(COC5CC(OC(C)C6(O)CCC7C8CC=C9CC(O)CCC9(C)C8CCC76O)OC(C)C5OO4)CC3OC)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2OC)C(C)O1

Aglycone:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54O)OC(C)C3OO2)OC(C)C1O

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2OC)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 11
HBD: 5 FractionCSP3: 0.97
AlogP: 4.01 Num_rotatable_bonds: 16
MolWt: 1231.47 Num_heavy_atoms: 86
TPSA: 276.52 NumAromaticRings: 0

Unique Aglycone
AD45456
Formula: C34H54O11

Smiles:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54O)OC(C)C3OO2)OC(C)C1O
HBA: 11 RingCount: 7
HBD: 4 FractionCSP3: 0.94
AlogP: 2.9 Num_rotatable_bonds: 4
MolWt: 638.8 Num_heavy_atoms: 45
TPSA: 145.53 NumAromaticRings: 0

Sugarmoiety
SD04533

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2OC)C(C)O1