Glycoside
...
GD036367

Name:
17-[(5-{[4-(3-chloro-6-methoxy-2-methylbenzoyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid

Formula:
C51H63O17Cl

Smiles:
COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3CCC[C@@H]4[C@H]3C=C[C@@H]3CCCCC=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)OC(=O)[C@]34C)C(O)[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:
CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(O)CCCC42)CCCCC=CC3C=C1C(=O)O.COc1ccc(Cl)c(C)c1C(=O)O

Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)CC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 5 FractionCSP3: 0.64
AlogP: 5.93 Num_rotatable_bonds: 8
MolWt: 971.49 Num_heavy_atoms: 68
TPSA: 243.27 NumAromaticRings: 1

Unique Aglycone
AD22945
Formula: C29H36O8

Smiles:
CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(O)CCCC42)CCCCC=CC3C=C1C(=O)O
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.62
AlogP: 4.36 Num_rotatable_bonds: 1
MolWt: 512.6 Num_heavy_atoms: 37
TPSA: 130.36 NumAromaticRings: 0
AD22946
Formula: C10H9O3Cl

Smiles:
COc1ccc(Cl)c(C)c1C(=O)O
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 2.36 Num_rotatable_bonds: 2
MolWt: 200.62 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1

Sugarmoiety
SD03266

CC1OC(OC2C(C)OC(O)C(O)C2O)CC(O)C1O