Glycoside
...
GD114644

Name:
None

Formula:
C44H46O15N3

Smiles:
CCC(O)C1(O)C(O)C(C(O)OC(=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:
Cc1cc(C)cc(C2=C3N=CC=C3CN2O)c1.O=CCC[NH2+]C(C(=O)O)C(=O)OCO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 8 FractionCSP3: 0.34
AlogP: 1.21 Num_rotatable_bonds: 16
MolWt: 856.86 Num_heavy_atoms: 62
TPSA: 271.93 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
AD45184
Formula: C7H12O6N

Smiles:
O=CCC[NH2+]C(C(=O)O)C(=O)OCO
HBA: 7 RingCount: 0
HBD: 4 FractionCSP3: 0.57
AlogP: -2.91 Num_rotatable_bonds: 7
MolWt: 206.17 Num_heavy_atoms: 14
TPSA: 117.51 NumAromaticRings: 0

Sugarmoiety
SD04424

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