Glycoside
...
GD140311

Name:
{1-acetyl-7-[(5-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-1,3a,3b-trihydroxy-11a-methyl-11-[(1-phenylethenyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9a-yl}methyl benzoate

Formula:
C64H90O21

Smiles:
C=C(OC1CC2C3(COC(=O)c4ccccc4)CCC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(C)O5)C(C)O4)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C)c1ccccc1

Aglycone:
C=C(OC1CC2C3(COC(=O)c4ccccc4)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C)c1ccccc1

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 21 RingCount: 10
HBD: 5 FractionCSP3: 0.72
AlogP: 5.47 Num_rotatable_bonds: 19
MolWt: 1195.4 Num_heavy_atoms: 85
TPSA: 264.51 NumAromaticRings: 2

Unique Aglycone
AD56577
Formula: C36H42O8

Smiles:
C=C(OC1CC2C3(COC(=O)c4ccccc4)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C)c1ccccc1
HBA: 8 RingCount: 6
HBD: 4 FractionCSP3: 0.5
AlogP: 4.36 Num_rotatable_bonds: 7
MolWt: 602.72 Num_heavy_atoms: 44
TPSA: 133.52 NumAromaticRings: 2

Sugarmoiety
SD00850

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1