Glycoside
...
GD015662

Name:
None

Formula:
C44H63O10N

Smiles:
COc1ccc(C=CC(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@H](C)[C@H]6[C@@]5(C)CC[C@H]43)C2)c(OC)c1

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.COc1ccc(C=CC(N)=O)c(OC)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 8
HBD: 4 FractionCSP3: 0.75
AlogP: 5.39 Num_rotatable_bonds: 8
MolWt: 765.98 Num_heavy_atoms: 55
TPSA: 145.17 NumAromaticRings: 1

Unique Aglycone
AD00005
Formula: C27H42O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 0.93
AlogP: 5.71 Num_rotatable_bonds: 0
MolWt: 414.63 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0
AD11358
Formula: C11H13O3N

Smiles:
COc1ccc(C=CC(N)=O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.18
AlogP: 1.2 Num_rotatable_bonds: 4
MolWt: 207.23 Num_heavy_atoms: 15
TPSA: 61.55 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O