Glycoside
...
GD129073

Name:
None

Formula:
C38H40O14N4

Smiles:
Nc1ccc(C(O)COc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(OC5OC(C(=O)O)C(O)(CC6CNCN6)C(O)C5O)cc4o3)cc2)[nH]1

Aglycone:
CC1CNCN1.Nc1ccc(C(O)COc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(O)cc4o3)cc2)[nH]1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 12 FractionCSP3: 0.32
AlogP: 1.02 Num_rotatable_bonds: 13
MolWt: 776.75 Num_heavy_atoms: 56
TPSA: 291.68 NumAromaticRings: 5

Unique Aglycone
AD45423
Formula: C4H10N2

Smiles:
CC1CNCN1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.47 Num_rotatable_bonds: 0
MolWt: 86.14 Num_heavy_atoms: 6
TPSA: 24.06 NumAromaticRings: 0
AD48993
Formula: C28H24O8N2

Smiles:
Nc1ccc(C(O)COc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(O)cc4o3)cc2)[nH]1
HBA: 10 RingCount: 5
HBD: 7 FractionCSP3: 0.11
AlogP: 4.18 Num_rotatable_bonds: 8
MolWt: 516.51 Num_heavy_atoms: 38
TPSA: 171.4 NumAromaticRings: 5

Sugarmoiety
SD04330

O=C(O)C1OC(O)C(O)C(O)C1(O)O