GD000971

Name:

10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-2,11-dihydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-16-en-23-one

Formula:

C46H72O19

Smiles:

CC1(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@@]3(C)C[C@H](O)[C@@]23C[C@H]1OC3=O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

Sugarmoiety:

OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL451567
• CNP0187659

AD01012

Formula: C30H46O6

Smiles:

CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.9
AlogP:	3.6	Num_rotatable_bonds:	1
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	107.22	NumAromaticRings:	0