Glycoside
...
GD138226

Name:
None

Formula:
C44H46O15N3

Smiles:
Cc1cc(CCCCO)cc(C2=C3N=CC=C3CN2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)OC(=O)C([NH2+]CCC=O)C(=O)O)C(O)C2O)c1

Aglycone:
Cc1cc(CCCCO)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:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 8 FractionCSP3: 0.34
AlogP: 1.08 Num_rotatable_bonds: 18
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
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
AD45653
Formula: C17H20O2N2

Smiles:
Cc1cc(CCCCO)cc(C2=C3N=CC=C3CN2O)c1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.35
AlogP: 2.69 Num_rotatable_bonds: 5
MolWt: 284.36 Num_heavy_atoms: 21
TPSA: 56.06 NumAromaticRings: 1

Sugarmoiety
SD00017

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