Glycoside
...
GD139690

Name:
None

Formula:
C42H47O15N4

Smiles:
NC([NH3+])C(OC(=O)CC(=O)O)C1OC(Oc2cc(CN3C=C4N=CC=C4C3)c3c(c2)OC(Cc2ccccc2)C2c4ccc(OCO)c(OCCO)c4OC32)C(O)C(O)C1O

Aglycone:
NC([NH3+])COC(=O)CC(=O)O.OCCOc1c(OCO)ccc2c1OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.4
AlogP: -0.63 Num_rotatable_bonds: 16
MolWt: 847.85 Num_heavy_atoms: 61
TPSA: 289.39 NumAromaticRings: 3

Unique Aglycone
AD45159
Formula: C5H11O4N2

Smiles:
NC([NH3+])COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 6 FractionCSP3: 0.6
AlogP: -2.47 Num_rotatable_bonds: 4
MolWt: 163.15 Num_heavy_atoms: 11
TPSA: 117.26 NumAromaticRings: 0
AD56330
Formula: C32H30O7N2

Smiles:
OCCOc1c(OCO)ccc2c1OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 9 RingCount: 7
HBD: 3 FractionCSP3: 0.28
AlogP: 3.98 Num_rotatable_bonds: 9
MolWt: 554.6 Num_heavy_atoms: 41
TPSA: 113.21 NumAromaticRings: 3

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O