Glycoside
...
GD140334

Name:
None

Formula:
C47H52O13N4

Smiles:
CNCC1C=CC(C2CN=C(O)C2)CC12Oc1c(cc3c(=O)cc(C)oc3c1-n1cc3cc[nH]c3c1)CC2OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO

Aglycone:
CNCC1C=CC(C2CN=C(O)C2)CC12Oc1c(cc3c(=O)cc(C)oc3c1-n1cc3cc[nH]c3c1)CC2O.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 10 FractionCSP3: 0.4
AlogP: 3.37 Num_rotatable_bonds: 14
MolWt: 880.95 Num_heavy_atoms: 64
TPSA: 264.85 NumAromaticRings: 6

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
AD56587
Formula: C30H32O5N4

Smiles:
CNCC1C=CC(C2CN=C(O)C2)CC12Oc1c(cc3c(=O)cc(C)oc3c1-n1cc3cc[nH]c3c1)CC2O
HBA: 9 RingCount: 7
HBD: 4 FractionCSP3: 0.4
AlogP: 3.8 Num_rotatable_bonds: 4
MolWt: 528.61 Num_heavy_atoms: 39
TPSA: 125.01 NumAromaticRings: 4

Sugarmoiety
SD04426

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