Glycoside
...
GD031977

Name:
None

Formula:
C33H45O9N6P

Smiles:
CC[C@H](C)[C@H](NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(OC)nc(N)nc32)[C@@](C)(O)[C@H]1O)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C

Aglycone:
CCC(C)C(NP(=O)(OC)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C.COc1nc(N)nc2c1N=C[N]2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 5 FractionCSP3: 0.52
AlogP: 4.38 Num_rotatable_bonds: 13
MolWt: 700.73 Num_heavy_atoms: 49
TPSA: 202.4 NumAromaticRings: 4

Unique Aglycone
AD01261
Formula: C6H6ON5

Smiles:
COc1nc(N)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: -0.02 Num_rotatable_bonds: 1
MolWt: 164.15 Num_heavy_atoms: 12
TPSA: 87.49 NumAromaticRings: 1
AD20548
Formula: C22H32O5NP

Smiles:
CCC(C)C(NP(=O)(OC)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 5.57 Num_rotatable_bonds: 9
MolWt: 421.47 Num_heavy_atoms: 29
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O