Glycoside
...
GD024722

Name:
None

Formula:
C55H84O18NP

Smiles:
CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@@H]3C[C@@](C)(OC)[C@H](OP(=O)(Oc4ccccc4)Oc4ccccc4)[C@H](C)O3)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](OC(=O)CC)[C@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@H]1N(C)C

Aglycone:
CCC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(OC(=O)CC)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C.O=P(O)(Oc1ccccc1)Oc1ccccc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 2 FractionCSP3: 0.71
AlogP: 8.0 Num_rotatable_bonds: 17
MolWt: 1078.24 Num_heavy_atoms: 75
TPSA: 230.58 NumAromaticRings: 2

Unique Aglycone
AD02892
Formula: C35H61O12N

Smiles:
CCC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(OC(=O)CC)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C
HBA: 13 RingCount: 2
HBD: 3 FractionCSP3: 0.89
AlogP: 2.78 Num_rotatable_bonds: 8
MolWt: 687.87 Num_heavy_atoms: 48
TPSA: 178.36 NumAromaticRings: 0
AD06126
Formula: C12H11O4P

Smiles:
O=P(O)(Oc1ccccc1)Oc1ccccc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 3.24 Num_rotatable_bonds: 4
MolWt: 250.19 Num_heavy_atoms: 17
TPSA: 55.76 NumAromaticRings: 2

Sugarmoiety
SD00005

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