Glycoside
...
GD130014

Name:
None

Formula:
C45H56O12N3

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C(C)(CCC1CN=C(O)C13CCCC3)O2

Aglycone:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C13CCCC3)O2.Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 8 FractionCSP3: 0.53
AlogP: 2.33 Num_rotatable_bonds: 15
MolWt: 830.95 Num_heavy_atoms: 60
TPSA: 229.08 NumAromaticRings: 3

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD52676
Formula: C32H38O5N3

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C13CCCC3)O2
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.53
AlogP: 3.62 Num_rotatable_bonds: 5
MolWt: 544.67 Num_heavy_atoms: 40
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

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