Glycoside
...
GD001177

Name:
None

Formula:
C50H71O12N6F

Smiles:
CC[C@@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)(F)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)OC12C.COCc1ccccc1

Sugarmoiety:
CN(C)C1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 4 FractionCSP3: 0.64
AlogP: 4.77 Num_rotatable_bonds: 15
MolWt: 967.15 Num_heavy_atoms: 69
TPSA: 227.33 NumAromaticRings: 3

Unique Aglycone
AD00042
Formula: C8H10O

Smiles:
COCc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 9.23 NumAromaticRings: 1
AD01194
Formula: C35H50O8N5F

Smiles:
CCC1OC(=O)C(C)(F)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)OC12C
HBA: 13 RingCount: 4
HBD: 3 FractionCSP3: 0.66
AlogP: 4.15 Num_rotatable_bonds: 8
MolWt: 687.81 Num_heavy_atoms: 49
TPSA: 176.17 NumAromaticRings: 2

Sugarmoiety
SD00333

CN(C)C1C(O)C(O)OC(O)C1O