Glycoside
...
GD007408

Name:
None

Formula:
C59H96O17N5F

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OCCCC(=O)NCCOCCNc3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)[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)(O)C[C@H](C)CN(C)[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)(O)CC(C)CN(C)C(C)C(O)C1(C)O.O=C(CCCO)NCCOCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

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

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 7 FractionCSP3: 0.8
AlogP: 4.44 Num_rotatable_bonds: 21
MolWt: 1166.43 Num_heavy_atoms: 82
TPSA: 278.74 NumAromaticRings: 2

Unique Aglycone
AD00728
Formula: C30H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD06036
Formula: C21H26O6N3F

Smiles:
O=C(CCCO)NCCOCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
HBA: 9 RingCount: 3
HBD: 4 FractionCSP3: 0.48
AlogP: 1.49 Num_rotatable_bonds: 12
MolWt: 435.45 Num_heavy_atoms: 31
TPSA: 129.89 NumAromaticRings: 2

Sugarmoiety
SD00005

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