Glycoside
...
GD152295

Name:
None

Formula:
C45H52O12N8

Smiles:
CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(OC2OC(CO)C(O)(CC(CN4C(=O)C=CC4=O)C4=CCNC(N)=C4)C(O)C2O)cc(OC)cc1C3=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 14 FractionCSP3: 0.4
AlogP: -0.63 Num_rotatable_bonds: 12
MolWt: 896.96 Num_heavy_atoms: 65
TPSA: 324.37 NumAromaticRings: 2

Unique Aglycone
AD45449
Formula: C12H15O2N3

Smiles:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.12 Num_rotatable_bonds: 3
MolWt: 233.27 Num_heavy_atoms: 17
TPSA: 75.43 NumAromaticRings: 0
AD54880
Formula: C27H29O5N5

Smiles:
CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=O
HBA: 10 RingCount: 5
HBD: 8 FractionCSP3: 0.3
AlogP: 2.26 Num_rotatable_bonds: 4
MolWt: 503.56 Num_heavy_atoms: 37
TPSA: 169.79 NumAromaticRings: 2

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O