Glycoside
...
GD155977

Name:
None

Formula:
C42H49O13N5

Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(C5(O)CCCCC5)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2N1

Aglycone:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1.OC1CCCCC1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.48
AlogP: -0.38 Num_rotatable_bonds: 12
MolWt: 831.88 Num_heavy_atoms: 60
TPSA: 286.19 NumAromaticRings: 3

Unique Aglycone
AD06056
Formula: C6H12O

Smiles:
OC1CCCCC1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 1.31 Num_rotatable_bonds: 0
MolWt: 100.16 Num_heavy_atoms: 7
TPSA: 20.23 NumAromaticRings: 0
AD54025
Formula: C31H31O8N5

Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.29
AlogP: 0.44 Num_rotatable_bonds: 9
MolWt: 601.62 Num_heavy_atoms: 44
TPSA: 207.04 NumAromaticRings: 3

Sugarmoiety
SD00017

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