Glycoside
...
GD115473

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 benzoate

Formula:
C71H102O27

Smiles:
COC1CC(OC2CCC3(C)C4CC(OC(=O)C=Cc5ccccc5)C5(C)C(O)(C(C)OC(=O)c6ccccc6)CCC5(O)C4(O)C=CC3(O)C2)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

Aglycone:
CC(OC(=O)c1ccccc1)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: 11
HBD: 9 FractionCSP3: 0.75
AlogP: 2.66 Num_rotatable_bonds: 21
MolWt: 1387.57 Num_heavy_atoms: 98
TPSA: 363.89 NumAromaticRings: 2

Unique Aglycone
AD45686
Formula: C37H44O9

Smiles:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 9 RingCount: 6
HBD: 5 FractionCSP3: 0.51
AlogP: 3.72 Num_rotatable_bonds: 6
MolWt: 632.75 Num_heavy_atoms: 46
TPSA: 153.75 NumAromaticRings: 2

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