Glycoside
...
GD012095

Name:
None

Formula:
C44H41O16N

Smiles:
COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(OC4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc1)=CC3=O)C2=O

Aglycone:
COC(C)=O.COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O)cc1)=CC3=O)C2=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 1 FractionCSP3: 0.32
AlogP: 4.62 Num_rotatable_bonds: 12
MolWt: 839.8 Num_heavy_atoms: 61
TPSA: 222.43 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD09139
Formula: C30H23O7N

Smiles:
COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O)cc1)=CC3=O)C2=O
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.13
AlogP: 4.86 Num_rotatable_bonds: 5
MolWt: 509.51 Num_heavy_atoms: 38
TPSA: 119.0 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O