Glycoside
...
GD005174

Name:
None

Formula:
C63H95O17N3S

Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O[C@@H]4C[C@@H]5[C@@H]6CC=C7C[C@H](OC(=O)CCCCCCCNC(=O)CCCC[C@@H]8SC[C@@H]9NC(=O)N[C@H]89)CC[C@@]7(C)[C@H]6CC[C@@]5(C)[C@@]4(O)[C@H](C)C(=O)CCC(C)C)OC[C@H]3O)OC[C@H](O)[C@H]2O)cc1

Aglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(OC(=O)CCCCCCCNC(=O)CCCCC5SCC6NC(=O)NC65)CCC4(C)C3CCC21C.COc1ccc(C(=O)O)cc1

Sugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 8 FractionCSP3: 0.79
AlogP: 6.19 Num_rotatable_bonds: 26
MolWt: 1198.52 Num_heavy_atoms: 84
TPSA: 287.2 NumAromaticRings: 1

Unique Aglycone
AD01329
Formula: C8H8O3

Smiles:
COc1ccc(C(=O)O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.39 Num_rotatable_bonds: 2
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 1
AD04419
Formula: C45H73O7N3S

Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(OC(=O)CCCCCCCNC(=O)CCCCC5SCC6NC(=O)NC65)CCC4(C)C3CCC21C
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.87
AlogP: 7.39 Num_rotatable_bonds: 19
MolWt: 800.16 Num_heavy_atoms: 56
TPSA: 154.06 NumAromaticRings: 0

Sugarmoiety
SD00968

OC1COC(OC2C(O)COC(O)C2O)C(O)C1O