Glycoside
...
GD124463

Name:
None

Formula:
C36H44O11N3

Smiles:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO

Aglycone:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1O.Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 8 FractionCSP3: 0.44
AlogP: 0.12 Num_rotatable_bonds: 14
MolWt: 694.76 Num_heavy_atoms: 50
TPSA: 211.49 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
AD46030
Formula: C23H26O4N3

Smiles:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.39
AlogP: 1.41 Num_rotatable_bonds: 4
MolWt: 408.48 Num_heavy_atoms: 30
TPSA: 91.88 NumAromaticRings: 2

Sugarmoiety
SD04426

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