Glycoside
...
GD157879

Name:
1-{1,3a,3b,5a-tetrahydroxy-7-[(5-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-11-[(3-phenylprop-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl 2-methylbut-2-enoate

Formula:
C69H104O27

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)C=CC4(O)CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Aglycone:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 9 FractionCSP3: 0.8
AlogP: 2.31 Num_rotatable_bonds: 21
MolWt: 1365.56 Num_heavy_atoms: 96
TPSA: 363.89 NumAromaticRings: 1

Unique Aglycone
AD47972
Formula: C35H46O9

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.6
AlogP: 3.37 Num_rotatable_bonds: 6
MolWt: 610.74 Num_heavy_atoms: 44
TPSA: 153.75 NumAromaticRings: 1

Sugarmoiety
SD00904

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1