GD145802

Name:

15-[4-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-5-hydroxy-6-methyloxan-2-yl]-6,8,12,14-tetrahydroxy-3-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyl-18-(4-oxocyclohexa-2,5-dien-1-ylidene)-19-oxapentacyclo[11.6.1.0²,¹¹.0³,⁸.0¹⁷,²⁰]icosa-1,9,13(20),14,16-pentaen-4-one

Formula:

C50H62O18

Smiles:

CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2C3=c3oc(=C4C=CC(=O)C=C4)c4cc(C5CC(OC6CCC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(O)C(C)O5)c(O)c(c34)C2O)CCC1O

Aglycone:

CC1OC(OC2CC(c3cc4c(=C5C=CC(=O)C=C5)oc5c4c(c3O)C(O)C3C=CC4(O)CC(C)(O)CC(=O)C4(OC4CCC(O)C(C)O4)C=53)OC(C)C2O)CCC1O

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CNP0343146

AD58504

Formula: C44H52O15

Smiles:

CC1OC(OC2CC(c3cc4c(=C5C=CC(=O)C=C5)oc5c4c(c3O)C(O)C3C=CC4(O)CC(C)(O)CC(=O)C4(OC4CCC(O)C(C)O4)C=53)OC(C)C2O)CCC1O

HBA:	15	RingCount:	9
HBD:	7	FractionCSP3:	0.59
AlogP:	1.34	Num_rotatable_bonds:	5
MolWt:	820.89	Num_heavy_atoms:	59
TPSA:	235.04	NumAromaticRings:	2