Glycoside
...
GD136133

Name:
None

Formula:
C43H48O15N4

Smiles:
Nc1ccc(C(O)C(CO)Oc2ccc(-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(C(O)C(CO)Oc2ccc(-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: 19 RingCount: 8
HBD: 13 FractionCSP3: 0.4
AlogP: 1.65 Num_rotatable_bonds: 14
MolWt: 860.87 Num_heavy_atoms: 62
TPSA: 311.91 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
AD55026
Formula: C33H32O9N2

Smiles:
Nc1ccc(C(O)C(CO)Oc2ccc(-c3cc(=O)c4c(O)c(OC5(c6cccc(O)c6)CCCC5)c(O)cc4o3)cc2)[nH]1
HBA: 11 RingCount: 6
HBD: 8 FractionCSP3: 0.24
AlogP: 4.81 Num_rotatable_bonds: 9
MolWt: 600.62 Num_heavy_atoms: 44
TPSA: 191.63 NumAromaticRings: 5

Sugarmoiety
SD04330

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