Glycoside
...
GD144521

Name:
None

Formula:
C43H47O12N6

Smiles:
CNC(CCNC(N)=[NH2+])C(C(=O)O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(ON2CC3=CC=NC3=C2c2cc(C)cc(C)c2)C(O)C1O

Aglycone:
CNC(CCNC(N)=[NH2+])C(C(=O)O)C(=O)OC.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: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.33
AlogP: 0.49 Num_rotatable_bonds: 15
MolWt: 839.88 Num_heavy_atoms: 61
TPSA: 273.46 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
AD58079
Formula: C9H19O4N4

Smiles:
CNC(CCNC(N)=[NH2+])C(C(=O)O)C(=O)OC
HBA: 8 RingCount: 0
HBD: 7 FractionCSP3: 0.67
AlogP: -3.5 Num_rotatable_bonds: 7
MolWt: 247.27 Num_heavy_atoms: 17
TPSA: 139.27 NumAromaticRings: 0

Sugarmoiety
SD00017

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