Glycoside
...
GD116338

Name:
None

Formula:
C47H46O12N3

Smiles:
C[NH2+]C(Cc1ccccc1)C(C(=O)O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(ON2CC3=CC=NC3=C2c2cc(C)cc(C)c2)C(O)C1O

Aglycone:
C[NH2+]C(Cc1ccccc1)C(C(=O)O)C(=O)OC.Cc1cc(C)cc(C2=C3N=CC=C3CN2O)c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 6 FractionCSP3: 0.28
AlogP: 3.65 Num_rotatable_bonds: 14
MolWt: 844.89 Num_heavy_atoms: 62
TPSA: 214.4 NumAromaticRings: 5

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD45183
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(C2=C3N=CC=C3CN2O)c1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.21
AlogP: 2.69 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 35.83 NumAromaticRings: 1
AD46177
Formula: C13H18O4N

Smiles:
C[NH2+]C(Cc1ccccc1)C(C(=O)O)C(=O)OC
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.38
AlogP: -0.34 Num_rotatable_bonds: 6
MolWt: 252.29 Num_heavy_atoms: 18
TPSA: 80.21 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O