Glycoside
...
GD016680

Name:
1-[11-(acetyloxy)-1,3a,3b-trihydroxy-7-{[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}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 2-(methylamino)benzoate

Formula:
C58H91O23N

Smiles:
CNc1ccccc1C(=O)O[C@H](C)[C@]1(O)CC[C@]2(O)[C@]3(O)CC[C@@H]4C[C@H](O[C@@H]5C[C@H](OC)[C@H](OC6C[C@H](OC)[C@H](O[C@@H]7O[C@H](C)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](OC)[C@H]7O)[C@H](C)O6)[C@H](C)O5)CC[C@@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C

Aglycone:
CNc1ccccc1C(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 9 FractionCSP3: 0.86
AlogP: 1.58 Num_rotatable_bonds: 17
MolWt: 1170.35 Num_heavy_atoms: 82
TPSA: 328.0 NumAromaticRings: 1

Unique Aglycone
AD11976
Formula: C31H45O8N

Smiles:
CNc1ccccc1C(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.74
AlogP: 3.18 Num_rotatable_bonds: 5
MolWt: 559.7 Num_heavy_atoms: 40
TPSA: 145.55 NumAromaticRings: 1

Sugarmoiety
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1