Glycoside
...
GD144182

Name:
None

Formula:
C42H43O15N3

Smiles:
CNC(O)(CCO)C(C(=O)O)C(=O)OC(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(ON2C=C3C=CN=C3C2c2cc(C)cc(C)c2)C(O)C1O

Aglycone:
CNC(O)(CCO)C(C(=O)O)C(=O)OCO.Cc1cc(C)cc(C2C3=NC=CC3=CN2O)c1.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: 0.33
AlogP: 1.67 Num_rotatable_bonds: 14
MolWt: 829.81 Num_heavy_atoms: 60
TPSA: 270.51 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
AD45354
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(C2C3=NC=CC3=CN2O)c1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.21
AlogP: 2.9 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 35.83 NumAromaticRings: 1
AD57957
Formula: C8H15O7N

Smiles:
CNC(O)(CCO)C(C(=O)O)C(=O)OCO
HBA: 8 RingCount: 0
HBD: 5 FractionCSP3: 0.75
AlogP: -2.53 Num_rotatable_bonds: 7
MolWt: 237.21 Num_heavy_atoms: 16
TPSA: 136.32 NumAromaticRings: 0

Sugarmoiety
SD00017

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