Glycoside
...
GD132139

Name:
None

Formula:
C44H46O14N3

Smiles:
CCC(O)C1(O)C(O)C(COC(=O)C([NH2+]CCC=O)C(=O)O)OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C1ON1CC2=CC=NC2=C1c1cc(C)cc(C)c1

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

Sugarmoiety:
CCC(O)C1(O)C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 7 FractionCSP3: 0.34
AlogP: 1.89 Num_rotatable_bonds: 16
MolWt: 840.86 Num_heavy_atoms: 61
TPSA: 251.7 NumAromaticRings: 4

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
AD48170
Formula: C7H12O5N

Smiles:
COC(=O)C([NH2+]CCC=O)C(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -2.23 Num_rotatable_bonds: 6
MolWt: 190.18 Num_heavy_atoms: 13
TPSA: 97.28 NumAromaticRings: 0

Sugarmoiety
SD04424

CCC(O)C1(O)C(O)C(O)OC(O)C1O