Glycoside
...
GD158378

Name:
None

Formula:
C39H42O16N4

Smiles:
Nc1ccc(C(O)C(CO)Oc2ccc(-c3cc(=O)c4c(O)c(OC(O)c5cccc(O)c5)c(OC5OC(C(=O)O)C(O)(CC6CNCN6)C(O)C5O)cc4o3)cc2)[nH]1

Aglycone:
CC1CNCN1.Nc1ccc(C(O)C(CO)Oc2ccc(-c3cc(=O)c4c(O)c(OC(O)c5cccc(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: 20 RingCount: 7
HBD: 14 FractionCSP3: 0.33
AlogP: -0.13 Num_rotatable_bonds: 14
MolWt: 822.78 Num_heavy_atoms: 59
TPSA: 332.14 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
AD62525
Formula: C29H26O10N2

Smiles:
Nc1ccc(C(O)C(CO)Oc2ccc(-c3cc(=O)c4c(O)c(OC(O)c5cccc(O)c5)c(O)cc4o3)cc2)[nH]1
HBA: 12 RingCount: 5
HBD: 9 FractionCSP3: 0.14
AlogP: 3.03 Num_rotatable_bonds: 9
MolWt: 562.53 Num_heavy_atoms: 41
TPSA: 211.86 NumAromaticRings: 5

Sugarmoiety
SD04330

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