Glycoside
...
GD137374

Name:
None

Formula:
C42H46O13N4

Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5(c6cccc(O)c6)CCCC5)c(OC5OC(C(=O)O)C(O)(CC6CNCN6)C(O)C5O)cc4o3)cc2)[nH]1

Aglycone:
CC1CNCN1.Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5(c6cccc(O)c6)CCCC5)c(O)cc4o3)cc2)[nH]1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 11 FractionCSP3: 0.38
AlogP: 2.8 Num_rotatable_bonds: 13
MolWt: 814.85 Num_heavy_atoms: 59
TPSA: 271.45 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
AD53017
Formula: C32H30O7N2

Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5(c6cccc(O)c6)CCCC5)c(O)cc4o3)cc2)[nH]1
HBA: 9 RingCount: 6
HBD: 6 FractionCSP3: 0.22
AlogP: 5.96 Num_rotatable_bonds: 8
MolWt: 554.6 Num_heavy_atoms: 41
TPSA: 151.17 NumAromaticRings: 5

Sugarmoiety
SD04330

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