Glycoside
...
GD155810

Name:
None

Formula:
C43H46O14N3

Smiles:
C[NH2+]C(CCO)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)C1(O)CO

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

Sugarmoiety:
OCC1(O)C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 8 FractionCSP3: 0.35
AlogP: 1.15 Num_rotatable_bonds: 15
MolWt: 828.85 Num_heavy_atoms: 60
TPSA: 254.86 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
AD53277
Formula: C8H16O5N

Smiles:
C[NH2+]C(CCO)C(C(=O)O)C(=O)OC
HBA: 6 RingCount: 0
HBD: 4 FractionCSP3: 0.75
AlogP: -2.2 Num_rotatable_bonds: 6
MolWt: 206.22 Num_heavy_atoms: 14
TPSA: 100.44 NumAromaticRings: 0

Sugarmoiety
SD04892

OCC1(O)C(O)OC(O)C(O)C1O