Glycoside
...
GD127767

Name:
None

Formula:
C46H54O13N8

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)c(CO)c1C3=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)c(CO)c1C3=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 15 FractionCSP3: 0.41
AlogP: -1.14 Num_rotatable_bonds: 13
MolWt: 926.98 Num_heavy_atoms: 67
TPSA: 344.6 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
AD51750
Formula: C28H31O6N5

Smiles:
CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)c(CO)c1C3=O
HBA: 11 RingCount: 5
HBD: 9 FractionCSP3: 0.32
AlogP: 1.75 Num_rotatable_bonds: 5
MolWt: 533.59 Num_heavy_atoms: 39
TPSA: 190.02 NumAromaticRings: 2

Sugarmoiety
SD04299

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