Glycoside
...
GD121523

Name:
None

Formula:
C31H29O13N3

Smiles:
CNC(C(=O)O)C(=O)OC(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(ON2C=C3C=CN=C3C2)C(O)C1O

Aglycone:
CNC(C(=O)O)C(=O)OCO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.ON1C=C2C=CN=C2C1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 6 FractionCSP3: 0.29
AlogP: -0.01 Num_rotatable_bonds: 10
MolWt: 651.58 Num_heavy_atoms: 47
TPSA: 230.05 NumAromaticRings: 3

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
AD45524
Formula: C5H9O5N

Smiles:
CNC(C(=O)O)C(=O)OCO
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: -1.85 Num_rotatable_bonds: 4
MolWt: 163.13 Num_heavy_atoms: 11
TPSA: 95.86 NumAromaticRings: 0
AD45541
Formula: C6H6ON2

Smiles:
ON1C=C2C=CN=C2C1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.17
AlogP: 0.54 Num_rotatable_bonds: 0
MolWt: 122.13 Num_heavy_atoms: 9
TPSA: 35.83 NumAromaticRings: 0

Sugarmoiety
SD00017

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