Glycoside
...
GD116621

Name:
2-[(6-{[6-({6-[9'-(1-{1,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethoxy)-4-methoxy-6,7'-dimethyl-hexahydro-2'H-spiro[oxane-2,4'-pyrano[4,3-d][1,3,6]trioxocine]oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate

Formula:
C66H108O24

Smiles:
COC1CC(OC2C(C)OC3(COC4C(C)OC(OC(C)C5(O)CCC6C7CC=C8CC(O)CCC8(C)C7CCC65C)CC4OCO3)CC2OC)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1

Aglycone:
COC1CC2(COC3C(C)OC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)CC3OCO2)OC(C)C1O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 11
HBD: 3 FractionCSP3: 0.95
AlogP: 5.9 Num_rotatable_bonds: 17
MolWt: 1285.57 Num_heavy_atoms: 90
TPSA: 262.36 NumAromaticRings: 0

Unique Aglycone
AD46350
Formula: C36H58O10

Smiles:
COC1CC2(COC3C(C)OC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)CC3OCO2)OC(C)C1O
HBA: 10 RingCount: 7
HBD: 3 FractionCSP3: 0.94
AlogP: 4.22 Num_rotatable_bonds: 4
MolWt: 650.85 Num_heavy_atoms: 46
TPSA: 125.3 NumAromaticRings: 0

Sugarmoiety
SD02889

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1