Glycoside
...
GD011784

Name:
None

Formula:
C58H90O17N5F

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)NC(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O.O=C(O)CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 5 FractionCSP3: 0.78
AlogP: 3.99 Num_rotatable_bonds: 15
MolWt: 1148.37 Num_heavy_atoms: 81
TPSA: 266.79 NumAromaticRings: 2

Unique Aglycone
AD00310
Formula: C30H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 0.81 Num_rotatable_bonds: 5
MolWt: 604.78 Num_heavy_atoms: 42
TPSA: 167.25 NumAromaticRings: 0
AD08959
Formula: C20H22O5N3F

Smiles:
O=C(O)CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.45
AlogP: 1.77 Num_rotatable_bonds: 6
MolWt: 403.41 Num_heavy_atoms: 29
TPSA: 103.08 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O