Glycoside
...
GD009087

Name:
1-[1-(benzoyloxy)ethyl]-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-methoxyoxan-2-yl)oxy]-1,3a,3b-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl benzoate

Formula:
C62H88O21

Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3[C@H](C)O[C@H](O[C@@H]4CO[C@@H](O[C@@H]5CC[C@]6(C)C(=CC[C@]7(O)[C@H]6C[C@H](OC(=O)c6ccccc6)[C@]6(C)[C@](O)([C@H](C)OC(=O)c8ccccc8)CC[C@]76O)C5)C[C@H]4OC)C[C@@H]3OC)C[C@@H]2OC)[C@@H]1O

Aglycone:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OCC1OC1CC(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: 0.74
AlogP: 5.07 Num_rotatable_bonds: 17
MolWt: 1169.37 Num_heavy_atoms: 83
TPSA: 264.51 NumAromaticRings: 2

Unique Aglycone
AD07168
Formula: C35H42O8

Smiles:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 8 RingCount: 6
HBD: 4 FractionCSP3: 0.54
AlogP: 4.35 Num_rotatable_bonds: 5
MolWt: 590.71 Num_heavy_atoms: 43
TPSA: 133.52 NumAromaticRings: 2

Sugarmoiety
SD01420

COC1CC(O)OCC1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1