Glycoside
...
GD121778

Name:
None

Formula:
C47H57O13N4

Smiles:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)c3ccc(O)cc13)C(O)C(O)C(O)CO)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2

Aglycone:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.47
AlogP: 2.5 Num_rotatable_bonds: 18
MolWt: 885.99 Num_heavy_atoms: 64
TPSA: 264.31 NumAromaticRings: 4

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD49037
Formula: C30H37O5N4

Smiles:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.5
AlogP: 2.93 Num_rotatable_bonds: 8
MolWt: 533.65 Num_heavy_atoms: 39
TPSA: 124.47 NumAromaticRings: 2

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO