Glycoside
...
GD012816

Name:
NIRURIDE

Formula:
C38H42O17

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@]2(COC(C)=O)O[C@H](COC(=O)C=Cc3ccccc3)[C@H](O)[C@H]2OC(=O)C=Cc2ccccc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O

Aglycone:
COC(=O)C=Cc1ccccc1.COC(C)=O.COC(C)=O.O=C(O)C=Cc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(OC2(O)OC(O)C(O)C2O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 2 FractionCSP3: 0.42
AlogP: 1.42 Num_rotatable_bonds: 15
MolWt: 770.74 Num_heavy_atoms: 55
TPSA: 225.95 NumAromaticRings: 2

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
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD00648
Formula: C10H10O2

Smiles:
COC(=O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.1
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD01778

CC(=O)OC1C(O)OC(OC2(O)OC(O)C(O)C2O)C(OC(C)=O)C1O