Glycoside
...
GD132207

Name:
None

Formula:
C44H45O12N3

Smiles:
Cc1cc(C)cc(C2=C3N=CC=C3CN2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(COC(=O)C(CNC3CCCC3)C(=O)O)C(O)C2O)c1

Aglycone:
COC(=O)C(CNC1CCCC1)C(=O)O.Cc1cc(C)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: 15 RingCount: 8
HBD: 5 FractionCSP3: 0.36
AlogP: 4.38 Num_rotatable_bonds: 13
MolWt: 807.85 Num_heavy_atoms: 59
TPSA: 209.82 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
AD47020
Formula: C10H17O4N

Smiles:
COC(=O)C(CNC1CCCC1)C(=O)O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.8
AlogP: 0.39 Num_rotatable_bonds: 5
MolWt: 215.25 Num_heavy_atoms: 15
TPSA: 75.63 NumAromaticRings: 0

Sugarmoiety
SD00017

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