Glycoside
...
GD015560

Name:
None

Formula:
C44H58O13N2

Smiles:
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](OC(C)=O)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(=O)C=Cc2ccnc3ccccc23)[C@H](N(C)C)[C@H]1O

Aglycone:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O.O=C(O)C=Cc1ccnc2ccccc12

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 1 FractionCSP3: 0.55
AlogP: 4.53 Num_rotatable_bonds: 11
MolWt: 822.95 Num_heavy_atoms: 59
TPSA: 186.32 NumAromaticRings: 2

Unique Aglycone
AD01717
Formula: C24H36O9

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O
HBA: 9 RingCount: 1
HBD: 1 FractionCSP3: 0.67
AlogP: 2.3 Num_rotatable_bonds: 5
MolWt: 468.54 Num_heavy_atoms: 33
TPSA: 125.43 NumAromaticRings: 0
AD11298
Formula: C12H9O2N

Smiles:
O=C(O)C=Cc1ccnc2ccccc12
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.33 Num_rotatable_bonds: 2
MolWt: 199.21 Num_heavy_atoms: 15
TPSA: 50.19 NumAromaticRings: 2

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O