Glycoside
...
GD123208

Name:
None

Formula:
C40H46O13N6

Smiles:
CNC(=N)NC1CCCc2cc3c(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)c(CO)c1C3=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)c(CO)c1C3=O

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 12 FractionCSP3: 0.42
AlogP: -1.4 Num_rotatable_bonds: 11
MolWt: 818.84 Num_heavy_atoms: 59
TPSA: 306.55 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
AD45854
Formula: C22H23O6N3

Smiles:
CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)c(CO)c1C3=O
HBA: 9 RingCount: 4
HBD: 6 FractionCSP3: 0.32
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 425.44 Num_heavy_atoms: 31
TPSA: 151.97 NumAromaticRings: 2

Sugarmoiety
SD04299

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