GD117664

Name:

10,31-bis[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11,13,14,17,24,30,33,36-octahydroxy-12,29-bis[(5-hydroxy-6-methyloxan-2-yl)oxy]-3,4-dimethoxy-13,28-dipropyl-20,27-dioxadecacyclo[19.17.0.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁹,¹⁴.0²³,³⁷.0²⁵,³⁵.0²⁶,³².0²⁸,³³]octatriaconta-1(21),2(19),3,5(18),6,16,23(37),24,35-nonaene-15,22,34,38-tetrone

Formula:

C68H84O30

Smiles:

CCCC1(O)C(OC2CCC(O)C(C)O2)C(O)C(OC2CC(O)C(O)C(C)O2)C2Cc3cc4c(OC)c(OC)c5c6c(oc5c4c(O)c3C(=O)C21O)C(=O)c1c(O)c2c(c(O)c1C6=O)C(=O)C1(O)C3C2OC1(CCC)C(OC1CCC(O)C(C)O1)C(O)C3OC1CC(O)C(O)C(C)O1

Aglycone:

CCCC1(O)C(OC2CCC(O)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c5c6c(oc5c4c(O)c3C(=O)C21O)C(=O)c1c(O)c2c(c(O)c1C6=O)C(=O)C1(O)C3C2OC1(CCC)C(OC1CCC(O)C(C)O1)C(O)C3O

Sugarmoiety:

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O

Other Identifiers

• CNP0157596

AD46949

Formula: C56H64O24

Smiles:

CCCC1(O)C(OC2CCC(O)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c5c6c(oc5c4c(O)c3C(=O)C21O)C(=O)c1c(O)c2c(c(O)c1C6=O)C(=O)C1(O)C3C2OC1(CCC)C(OC1CCC(O)C(C)O1)C(O)C3O

HBA:	24	RingCount:	12
HBD:	12	FractionCSP3:	0.61
AlogP:	1.28	Num_rotatable_bonds:	10
MolWt:	1121.1	Num_heavy_atoms:	80
TPSA:	388.79	NumAromaticRings:	4