Glycoside
...
GD003284

Name:
None

Formula:
C51H83O13N8F

Smiles:
COc1c(N2C[C@@H]3CCCN(CCCCCCCCCCCCO[C@@H]4[C@H](O[C@H]5[C@H](N)C[C@@H](N)[C@@H](O[C@@H]6O[C@H](CN)[C@H](O)C[C@H]6N)[C@H]5O)O[C@H](CO)[C@H](O)[C@H]4N)[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

Aglycone:
COc1c(N2CC3CCCN(CCCCCCCCCCCCO)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O

Sugarmoiety:
NC1C(O)C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 15 FractionCSP3: 0.8
AlogP: 0.73 Num_rotatable_bonds: 24
MolWt: 1035.27 Num_heavy_atoms: 73
TPSA: 332.18 NumAromaticRings: 2

Unique Aglycone
AD02992
Formula: C33H48O5N3F

Smiles:
COc1c(N2CC3CCCN(CCCCCCCCCCCCO)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.7
AlogP: 5.98 Num_rotatable_bonds: 16
MolWt: 585.76 Num_heavy_atoms: 42
TPSA: 95.24 NumAromaticRings: 2
AD02993
Formula: C12H26O5N4

Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O
HBA: 9 RingCount: 2
HBD: 11 FractionCSP3: 1.0
AlogP: -4.09 Num_rotatable_bonds: 3
MolWt: 306.36 Num_heavy_atoms: 21
TPSA: 183.23 NumAromaticRings: 0

Sugarmoiety
SD00372

NC1C(O)C(O)OC(CO)C1O