Glycoside
...
GD129804

Name:
None

Formula:
C30H40O10N3

Smiles:
C[NH2+]CCC1(C)Oc2cc3oc(C)cc(=O)c3cc2CC1OOCC(O)C(O)(CN1CC=C2N=CC=C21)C(O)C(O)CO

Aglycone:
CN1CC=C2N=CC=C21.C[NH2+]CCC1(C)Oc2cc3oc(C)cc(=O)c3cc2CC1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.53
AlogP: -1.33 Num_rotatable_bonds: 13
MolWt: 602.66 Num_heavy_atoms: 43
TPSA: 191.26 NumAromaticRings: 2

Unique Aglycone
AD50830
Formula: C17H22O4N

Smiles:
C[NH2+]CCC1(C)Oc2cc3oc(C)cc(=O)c3cc2CC1O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.47
AlogP: 0.74 Num_rotatable_bonds: 3
MolWt: 304.37 Num_heavy_atoms: 22
TPSA: 76.28 NumAromaticRings: 2
AD52585
Formula: C7H8N2

Smiles:
CN1CC=C2N=CC=C21
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.29
AlogP: 0.78 Num_rotatable_bonds: 0
MolWt: 120.15 Num_heavy_atoms: 9
TPSA: 15.6 NumAromaticRings: 0

Sugarmoiety
SD04404

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