Glycoside
...
GD133819

Name:
None

Formula:
C43H46O12N6

Smiles:
CNC(CCNC(=N)N)C(C(=O)O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(ON2C=C3C=CN=C3C2c2cc(C)cc(C)c2)C(O)C1O

Aglycone:
CNC(CCNC(=N)N)C(C(=O)O)C(=O)OC.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: 9 FractionCSP3: 0.33
AlogP: 2.52 Num_rotatable_bonds: 15
MolWt: 838.87 Num_heavy_atoms: 61
TPSA: 271.72 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
AD54146
Formula: C9H18O4N4

Smiles:
CNC(CCNC(=N)N)C(C(=O)O)C(=O)OC
HBA: 8 RingCount: 0
HBD: 6 FractionCSP3: 0.67
AlogP: -1.68 Num_rotatable_bonds: 7
MolWt: 246.27 Num_heavy_atoms: 17
TPSA: 137.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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