Glycoside
...
GD123794

Name:
None

Formula:
C42H44O14N3

Smiles:
C[NH2+]C(C(=O)O)C(=O)OC(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(ON2CC3=CC=NC3=C2c2cc(C)cc(CCCCO)c2)C(O)C1O

Aglycone:
C[NH2+]C(C(=O)O)C(=O)OCO.Cc1cc(CCCCO)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: 17 RingCount: 7
HBD: 8 FractionCSP3: 0.33
AlogP: 1.12 Num_rotatable_bonds: 15
MolWt: 814.82 Num_heavy_atoms: 59
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
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
AD46883
Formula: C5H10O5N

Smiles:
C[NH2+]C(C(=O)O)C(=O)OCO
HBA: 6 RingCount: 0
HBD: 4 FractionCSP3: 0.6
AlogP: -2.87 Num_rotatable_bonds: 4
MolWt: 164.14 Num_heavy_atoms: 11
TPSA: 100.44 NumAromaticRings: 0

Sugarmoiety
SD00017

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