Glycoside
...
GD142399

Name:
None

Formula:
C40H46O12N3

Smiles:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO

Aglycone:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1O.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.4
AlogP: 0.98 Num_rotatable_bonds: 14
MolWt: 760.82 Num_heavy_atoms: 55
TPSA: 231.72 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
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