Glycoside
...
GD142932

Name:
None

Formula:
C54H65O13N4

Smiles:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)c3ccc(O)cc13)C(O)C(O)C(O)CO)C1(CC(C3CN=C(O)C34CCCCC4)C=CC1C[NH2+]C)O2

Aglycone:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC(C3CN=C(O)C34CCCCC4)C=CC1C[NH2+]C)O2.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 17 RingCount: 10
HBD: 10 FractionCSP3: 0.5
AlogP: 4.08 Num_rotatable_bonds: 15
MolWt: 978.13 Num_heavy_atoms: 71
TPSA: 264.31 NumAromaticRings: 4

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD57502
Formula: C37H45O5N4

Smiles:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC(C3CN=C(O)C34CCCCC4)C=CC1C[NH2+]C)O2
HBA: 9 RingCount: 8
HBD: 4 FractionCSP3: 0.54
AlogP: 4.51 Num_rotatable_bonds: 5
MolWt: 625.79 Num_heavy_atoms: 46
TPSA: 124.47 NumAromaticRings: 2

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO